N-(2-amino-2-oxoethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-ethylsulfonyl-5-propan-2-yloxypyridine;3-fluoro-2-methyl-5-propan-2-yloxypyridine;N-(2-hydroxyethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-isocyano-5-propan-2-yloxypyridine;bis(2-methylsulfonyl-5-propan-2-yloxypyridine);5-propan-2-yloxy-2-(1H-pyrazol-4-yl)pyridine;2-[(5-propan-2-yloxypyridine-2-carbonyl)amino]acetic acid;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-oxazole;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-thiazole;5-propan-2-yloxy-2-(1H-pyrrol-2-yl)pyridine

C124H159FN22O26S4 — CID 159296766

IUPACN-(2-amino-2-oxoethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-ethylsulfonyl-5-propan-2-yloxypyridine;3-fluoro-2-methyl-5-propan-2-yloxypyridine;N-(2-hydroxyethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-isocyano-5-propan-2-yloxypyridine;bis(2-methylsulfonyl-5-propan-2-yloxypyridine);5-propan-2-yloxy-2-(1H-pyrazol-4-yl)pyridine;2-[(5-propan-2-yloxypyridine-2-carbonyl)amino]acetic acid;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-oxazole;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-thiazole;5-propan-2-yloxy-2-(1H-pyrrol-2-yl)pyridine
SMILESCC(C)Oc1ccc(-c2ccc[nH]2)nc1.CC(C)Oc1ccc(-c2cn[nH]c2)nc1.CC(C)Oc1ccc(-c2ncco2)nc1.CC(C)Oc1ccc(-c2nccs2)nc1.CC(C)Oc1ccc(C(=O)NCC(=O)O)nc1.CC(C)Oc1ccc(C(=O)NCC(N)=O)nc1.CC(C)Oc1ccc(C(=O)NCCO)nc1.CC(C)Oc1ccc(S(C)(=O)=O)nc1.CC(C)Oc1ccc(S(C)(=O)=O)nc1.CCS(=O)(=O)c1ccc(OC(C)C)cn1.Cc1ncc(OC(C)C)cc1F.[C-]#[N+]c1ccc(OC(C)C)cn1
InChIInChI=1S/C12H14N2O.C11H15N3O3.C11H13N3O.C11H14N2O4.C11H16N2O3.C11H12N2O2.C11H12N2OS.C10H15NO3S.C9H12FNO.C9H10N2O.2C9H13NO3S/c1-9(2)15-10-5-6-12(14-8-10)11-4-3-7-13-11;1-7(2)17-8-3-4-9(13-5-8)11(16)14-6-10(12)15;1-8(2)15-10-3-4-11(12-7-10)9-5-13-14-6-9;1-7(2)17-8-3-4-9(12-5-8)11(16)13-6-10(14)15;1-8(2)16-9-3-4-10(13-7-9)11(15)12-5-6-14;1-8(2)15-9-3-4-10(13-7-9)11-12-5-6-14-11;1-8(2)14-9-3-4-10(13-7-9)11-12-5-6-15-11;1-4-15(12,13)10-6-5-9(7-11-10)14-8(2)3;1-6(2)12-8-4-9(10)7(3)11-5-8;1-7(2)12-8-4-5-9(10-3)11-6-8;2*1-7(2)13-8-4-5-9(10-6-8)14(3,11)12/h3-9,13H,1-2H3;3-5,7H,6H2,1-2H3,(H2,12,15)(H,14,16);3-8H,1-2H3,(H,13,14);3-5,7H,6H2,1-2H3,(H,13,16)(H,14,15);3-4,7-8,14H,5-6H2,1-2H3,(H,12,15);2*3-8H,1-2H3;5-8H,4H2,1-3H3;4-6H,1-3H3;4-7H,1-2H3;2*4-7H,1-3H3
InChIKeyLAUZCODIKVVWRW-UHFFFAOYSA-N
MW2521.03 g/mol
LogP20.94
Rot. Bonds41

About N-(2-amino-2-oxoethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-ethylsulfonyl-5-propan-2-yloxypyridine;3-fluoro-2-methyl-5-propan-2-yloxypyridine;N-(2-hydroxyethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-isocyano-5-propan-2-yloxypyridine;bis(2-methylsulfonyl-5-propan-2-yloxypyridine);5-propan-2-yloxy-2-(1H-pyrazol-4-yl)pyridine;2-[(5-propan-2-yloxypyridine-2-carbonyl)amino]acetic acid;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-oxazole;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-thiazole;5-propan-2-yloxy-2-(1H-pyrrol-2-yl)pyridine

N-(2-amino-2-oxoethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-ethylsulfonyl-5-propan-2-yloxypyridine;3-fluoro-2-methyl-5-propan-2-yloxypyridine;N-(2-hydroxyethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-isocyano-5-propan-2-yloxypyridine;bis(2-methylsulfonyl-5-propan-2-yloxypyridine);5-propan-2-yloxy-2-(1H-pyrazol-4-yl)pyridine;2-[(5-propan-2-yloxypyridine-2-carbonyl)amino]acetic acid;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-oxazole;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-thiazole;5-propan-2-yloxy-2-(1H-pyrrol-2-yl)pyridine (PubChem CID 159296766) has the molecular formula C124H159FN22O26S4 and a molecular weight of 2521.03 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-ethylsulfonyl-5-propan-2-yloxypyridine;3-fluoro-2-methyl-5-propan-2-yloxypyridine;N-(2-hydroxyethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-isocyano-5-propan-2-yloxypyridine;bis(2-methylsulfonyl-5-propan-2-yloxypyridine);5-propan-2-yloxy-2-(1H-pyrazol-4-yl)pyridine;2-[(5-propan-2-yloxypyridine-2-carbonyl)amino]acetic acid;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-oxazole;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-thiazole;5-propan-2-yloxy-2-(1H-pyrrol-2-yl)pyridine.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-ethylsulfonyl-5-propan-2-yloxypyridine;3-fluoro-2-methyl-5-propan-2-yloxypyridine;N-(2-hydroxyethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-isocyano-5-propan-2-yloxypyridine;bis(2-methylsulfonyl-5-propan-2-yloxypyridine);5-propan-2-yloxy-2-(1H-pyrazol-4-yl)pyridine;2-[(5-propan-2-yloxypyridine-2-carbonyl)amino]acetic acid;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-oxazole;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-thiazole;5-propan-2-yloxy-2-(1H-pyrrol-2-yl)pyridine
PubChem CID159296766
Molecular FormulaC124H159FN22O26S4
Molecular Weight2521.03 g/mol
Exact Mass2519.07
IUPAC NameN-(2-amino-2-oxoethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-ethylsulfonyl-5-propan-2-yloxypyridine;3-fluoro-2-methyl-5-propan-2-yloxypyridine;N-(2-hydroxyethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-isocyano-5-propan-2-yloxypyridine;bis(2-methylsulfonyl-5-propan-2-yloxypyridine);5-propan-2-yloxy-2-(1H-pyrazol-4-yl)pyridine;2-[(5-propan-2-yloxypyridine-2-carbonyl)amino]acetic acid;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-oxazole;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-thiazole;5-propan-2-yloxy-2-(1H-pyrrol-2-yl)pyridine
SMILESCC(C)Oc1ccc(-c2ccc[nH]2)nc1.CC(C)Oc1ccc(-c2cn[nH]c2)nc1.CC(C)Oc1ccc(-c2ncco2)nc1.CC(C)Oc1ccc(-c2nccs2)nc1.CC(C)Oc1ccc(C(=O)NCC(=O)O)nc1.CC(C)Oc1ccc(C(=O)NCC(N)=O)nc1.CC(C)Oc1ccc(C(=O)NCCO)nc1.CC(C)Oc1ccc(S(C)(=O)=O)nc1.CC(C)Oc1ccc(S(C)(=O)=O)nc1.CCS(=O)(=O)c1ccc(OC(C)C)cn1.Cc1ncc(OC(C)C)cc1F.[C-]#[N+]c1ccc(OC(C)C)cn1
InChIInChI=1S/C12H14N2O.C11H15N3O3.C11H13N3O.C11H14N2O4.C11H16N2O3.C11H12N2O2.C11H12N2OS.C10H15NO3S.C9H12FNO.C9H10N2O.2C9H13NO3S/c1-9(2)15-10-5-6-12(14-8-10)11-4-3-7-13-11;1-7(2)17-8-3-4-9(13-5-8)11(16)14-6-10(12)15;1-8(2)15-10-3-4-11(12-7-10)9-5-13-14-6-9;1-7(2)17-8-3-4-9(12-5-8)11(16)13-6-10(14)15;1-8(2)16-9-3-4-10(13-7-9)11(15)12-5-6-14;1-8(2)15-9-3-4-10(13-7-9)11-12-5-6-14-11;1-8(2)14-9-3-4-10(13-7-9)11-12-5-6-15-11;1-4-15(12,13)10-6-5-9(7-11-10)14-8(2)3;1-6(2)12-8-4-9(10)7(3)11-5-8;1-7(2)12-8-4-5-9(10-3)11-6-8;2*1-7(2)13-8-4-5-9(10-6-8)14(3,11)12/h3-9,13H,1-2H3;3-5,7H,6H2,1-2H3,(H2,12,15)(H,14,16);3-8H,1-2H3,(H,13,14);3-5,7H,6H2,1-2H3,(H,13,16)(H,14,15);3-4,7-8,14H,5-6H2,1-2H3,(H,12,15);2*3-8H,1-2H3;5-8H,4H2,1-3H3;4-6H,1-3H3;4-7H,1-2H3;2*4-7H,1-3H3
InChIKeyLAUZCODIKVVWRW-UHFFFAOYSA-N
XLogP20.94
TPSA643.53 Ų
H-Bond Donors8
H-Bond Acceptors41
Rotatable Bonds41
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002521.03
LogP ≤ 520.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-(2-amino-2-oxoethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-ethylsulfonyl-5-propan-2-yloxypyridine;3-fluoro-2-methyl-5-propan-2-yloxypyridine;N-(2-hydroxyethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-isocyano-5-propan-2-yloxypyridine;bis(2-methylsulfonyl-5-propan-2-yloxypyridine);5-propan-2-yloxy-2-(1H-pyrazol-4-yl)pyridine;2-[(5-propan-2-yloxypyridine-2-carbonyl)amino]acetic acid;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-oxazole;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-thiazole;5-propan-2-yloxy-2-(1H-pyrrol-2-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-ethylsulfonyl-5-propan-2-yloxypyridine;3-fluoro-2-methyl-5-propan-2-yloxypyridine;N-(2-hydroxyethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-isocyano-5-propan-2-yloxypyridine;bis(2-methylsulfonyl-5-propan-2-yloxypyridine);5-propan-2-yloxy-2-(1H-pyrazol-4-yl)pyridine;2-[(5-propan-2-yloxypyridine-2-carbonyl)amino]acetic acid;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-oxazole;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-thiazole;5-propan-2-yloxy-2-(1H-pyrrol-2-yl)pyridine?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-ethylsulfonyl-5-propan-2-yloxypyridine;3-fluoro-2-methyl-5-propan-2-yloxypyridine;N-(2-hydroxyethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-isocyano-5-propan-2-yloxypyridine;bis(2-methylsulfonyl-5-propan-2-yloxypyridine);5-propan-2-yloxy-2-(1H-pyrazol-4-yl)pyridine;2-[(5-propan-2-yloxypyridine-2-carbonyl)amino]acetic acid;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-oxazole;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-thiazole;5-propan-2-yloxy-2-(1H-pyrrol-2-yl)pyridine (CID 159296766) is N-(2-amino-2-oxoethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-ethylsulfonyl-5-propan-2-yloxypyridine;3-fluoro-2-methyl-5-propan-2-yloxypyridine;N-(2-hydroxyethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-isocyano-5-propan-2-yloxypyridine;bis(2-methylsulfonyl-5-propan-2-yloxypyridine);5-propan-2-yloxy-2-(1H-pyrazol-4-yl)pyridine;2-[(5-propan-2-yloxypyridine-2-carbonyl)amino]acetic acid;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-oxazole;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-thiazole;5-propan-2-yloxy-2-(1H-pyrrol-2-yl)pyridine.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-ethylsulfonyl-5-propan-2-yloxypyridine;3-fluoro-2-methyl-5-propan-2-yloxypyridine;N-(2-hydroxyethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-isocyano-5-propan-2-yloxypyridine;bis(2-methylsulfonyl-5-propan-2-yloxypyridine);5-propan-2-yloxy-2-(1H-pyrazol-4-yl)pyridine;2-[(5-propan-2-yloxypyridine-2-carbonyl)amino]acetic acid;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-oxazole;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-thiazole;5-propan-2-yloxy-2-(1H-pyrrol-2-yl)pyridine?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-ethylsulfonyl-5-propan-2-yloxypyridine;3-fluoro-2-methyl-5-propan-2-yloxypyridine;N-(2-hydroxyethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-isocyano-5-propan-2-yloxypyridine;bis(2-methylsulfonyl-5-propan-2-yloxypyridine);5-propan-2-yloxy-2-(1H-pyrazol-4-yl)pyridine;2-[(5-propan-2-yloxypyridine-2-carbonyl)amino]acetic acid;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-oxazole;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-thiazole;5-propan-2-yloxy-2-(1H-pyrrol-2-yl)pyridine is CC(C)Oc1ccc(-c2ccc[nH]2)nc1.CC(C)Oc1ccc(-c2cn[nH]c2)nc1.CC(C)Oc1ccc(-c2ncco2)nc1.CC(C)Oc1ccc(-c2nccs2)nc1.CC(C)Oc1ccc(C(=O)NCC(=O)O)nc1.CC(C)Oc1ccc(C(=O)NCC(N)=O)nc1.CC(C)Oc1ccc(C(=O)NCCO)nc1.CC(C)Oc1ccc(S(C)(=O)=O)nc1.CC(C)Oc1ccc(S(C)(=O)=O)nc1.CCS(=O)(=O)c1ccc(OC(C)C)cn1.Cc1ncc(OC(C)C)cc1F.[C-]#[N+]c1ccc(OC(C)C)cn1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-ethylsulfonyl-5-propan-2-yloxypyridine;3-fluoro-2-methyl-5-propan-2-yloxypyridine;N-(2-hydroxyethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-isocyano-5-propan-2-yloxypyridine;bis(2-methylsulfonyl-5-propan-2-yloxypyridine);5-propan-2-yloxy-2-(1H-pyrazol-4-yl)pyridine;2-[(5-propan-2-yloxypyridine-2-carbonyl)amino]acetic acid;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-oxazole;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-thiazole;5-propan-2-yloxy-2-(1H-pyrrol-2-yl)pyridine?
The InChIKey is LAUZCODIKVVWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.C11H15N3O3.C11H13N3O.C11H14N2O4.C11H16N2O3.C11H12N2O2.C11H12N2OS.C10H15NO3S.C9H12FNO.C9H10N2O.2C9H13NO3S/c1-9(2)15-10-5-6-12(14-8-10)11-4-3-7-13-11;1-7(2)17-8-3-4-9(13-5-8)11(16)14-6-10(12)15;1-8(2)15-10-3-4-11(12-7-10)9-5-13-14-6-9;1-7(2)17-8-3-4-9(12-5-8)11(16)13-6-10(14)15;1-8(2)16-9-3-4-10(13-7-9)11(15)12-5-6-14;1-8(2)15-9-3-4-10(13-7-9)11-12-5-6-14-11;1-8(2)14-9-3-4-10(13-7-9)11-12-5-6-15-11;1-4-15(12,13)10-6-5-9(7-11-10)14-8(2)3;1-6(2)12-8-4-9(10)7(3)11-5-8;1-7(2)12-8-4-5-9(10-3)11-6-8;2*1-7(2)13-8-4-5-9(10-6-8)14(3,11)12/h3-9,13H,1-2H3;3-5,7H,6H2,1-2H3,(H2,12,15)(H,14,16);3-8H,1-2H3,(H,13,14);3-5,7H,6H2,1-2H3,(H,13,16)(H,14,15);3-4,7-8,14H,5-6H2,1-2H3,(H,12,15);2*3-8H,1-2H3;5-8H,4H2,1-3H3;4-6H,1-3H3;4-7H,1-2H3;2*4-7H,1-3H3.
What are the key properties of N-(2-amino-2-oxoethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-ethylsulfonyl-5-propan-2-yloxypyridine;3-fluoro-2-methyl-5-propan-2-yloxypyridine;N-(2-hydroxyethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-isocyano-5-propan-2-yloxypyridine;bis(2-methylsulfonyl-5-propan-2-yloxypyridine);5-propan-2-yloxy-2-(1H-pyrazol-4-yl)pyridine;2-[(5-propan-2-yloxypyridine-2-carbonyl)amino]acetic acid;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-oxazole;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-thiazole;5-propan-2-yloxy-2-(1H-pyrrol-2-yl)pyridine?
N-(2-amino-2-oxoethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-ethylsulfonyl-5-propan-2-yloxypyridine;3-fluoro-2-methyl-5-propan-2-yloxypyridine;N-(2-hydroxyethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-isocyano-5-propan-2-yloxypyridine;bis(2-methylsulfonyl-5-propan-2-yloxypyridine);5-propan-2-yloxy-2-(1H-pyrazol-4-yl)pyridine;2-[(5-propan-2-yloxypyridine-2-carbonyl)amino]acetic acid;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-oxazole;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-thiazole;5-propan-2-yloxy-2-(1H-pyrrol-2-yl)pyridine has a molecular weight of 2521.03 g/mol, XLogP of 20.94, 41 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-ethylsulfonyl-5-propan-2-yloxypyridine;3-fluoro-2-methyl-5-propan-2-yloxypyridine;N-(2-hydroxyethyl)-5-propan-2-yloxypyridine-2-carboxamide;2-isocyano-5-propan-2-yloxypyridine;bis(2-methylsulfonyl-5-propan-2-yloxypyridine);5-propan-2-yloxy-2-(1H-pyrazol-4-yl)pyridine;2-[(5-propan-2-yloxypyridine-2-carbonyl)amino]acetic acid;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-oxazole;2-(5-propan-2-yloxy-2-pyridinyl)-1,3-thiazole;5-propan-2-yloxy-2-(1H-pyrrol-2-yl)pyridine is sourced from PubChem (CID 159296766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).