N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethoxy)pyridine-2-carboxamide;tert-butyl N-[2-[[5-(2-methoxyethoxy)pyridine-2-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;5-(2-methoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate

C69H77N9O19S2 — CID 160944049

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethoxy)pyridine-2-carboxamide;tert-butyl N-[2-[[5-(2-methoxyethoxy)pyridine-2-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;5-(2-methoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(O)cn1.COCCOc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)nc1.COCCOc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2NC(=O)OC(C)(C)C)nc1.COCCOc1ccc(C(=O)O)nc1.COCCOc1ccc(C(=O)OC)nc1
InChIInChI=1S/C24H27N3O5S.C19H19N3O3S.C10H13NO4.C9H11NO4.C7H7NO3/c1-24(2,3)32-23(29)27-18-9-7-16(21-6-5-13-33-21)14-20(18)26-22(28)19-10-8-17(15-25-19)31-12-11-30-4;1-24-8-9-25-14-5-7-16(21-12-14)19(23)22-17-11-13(4-6-15(17)20)18-3-2-10-26-18;1-13-5-6-15-8-3-4-9(11-7-8)10(12)14-2;1-13-4-5-14-7-2-3-8(9(11)12)10-6-7;1-11-7(10)6-3-2-5(9)4-8-6/h5-10,13-15H,11-12H2,1-4H3,(H,26,28)(H,27,29);2-7,10-12H,8-9,20H2,1H3,(H,22,23);3-4,7H,5-6H2,1-2H3;2-3,6H,4-5H2,1H3,(H,11,12);2-4,9H,1H3
InChIKeySUWMPEBDQCNYBD-UHFFFAOYSA-N
MW1400.55 g/mol
LogP11.38
Rot. Bonds26

About N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethoxy)pyridine-2-carboxamide;tert-butyl N-[2-[[5-(2-methoxyethoxy)pyridine-2-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;5-(2-methoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate

N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethoxy)pyridine-2-carboxamide;tert-butyl N-[2-[[5-(2-methoxyethoxy)pyridine-2-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;5-(2-methoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate (PubChem CID 160944049) has the molecular formula C69H77N9O19S2 and a molecular weight of 1400.55 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethoxy)pyridine-2-carboxamide;tert-butyl N-[2-[[5-(2-methoxyethoxy)pyridine-2-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;5-(2-methoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethoxy)pyridine-2-carboxamide;tert-butyl N-[2-[[5-(2-methoxyethoxy)pyridine-2-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;5-(2-methoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate
PubChem CID160944049
Molecular FormulaC69H77N9O19S2
Molecular Weight1400.55 g/mol
Exact Mass1399.48
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethoxy)pyridine-2-carboxamide;tert-butyl N-[2-[[5-(2-methoxyethoxy)pyridine-2-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;5-(2-methoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(O)cn1.COCCOc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)nc1.COCCOc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2NC(=O)OC(C)(C)C)nc1.COCCOc1ccc(C(=O)O)nc1.COCCOc1ccc(C(=O)OC)nc1
InChIInChI=1S/C24H27N3O5S.C19H19N3O3S.C10H13NO4.C9H11NO4.C7H7NO3/c1-24(2,3)32-23(29)27-18-9-7-16(21-6-5-13-33-21)14-20(18)26-22(28)19-10-8-17(15-25-19)31-12-11-30-4;1-24-8-9-25-14-5-7-16(21-12-14)19(23)22-17-11-13(4-6-15(17)20)18-3-2-10-26-18;1-13-5-6-15-8-3-4-9(11-7-8)10(12)14-2;1-13-4-5-14-7-2-3-8(9(11)12)10-6-7;1-11-7(10)6-3-2-5(9)4-8-6/h5-10,13-15H,11-12H2,1-4H3,(H,26,28)(H,27,29);2-7,10-12H,8-9,20H2,1H3,(H,22,23);3-4,7H,5-6H2,1-2H3;2-3,6H,4-5H2,1H3,(H,11,12);2-4,9H,1H3
InChIKeySUWMPEBDQCNYBD-UHFFFAOYSA-N
XLogP11.38
TPSA370.97 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001400.55
LogP ≤ 511.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethoxy)pyridine-2-carboxamide;tert-butyl N-[2-[[5-(2-methoxyethoxy)pyridine-2-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;5-(2-methoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate with MolForge

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Related Compounds

N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethylsulfonimidoyl)pyridine-2-carboxamide
CID 168792772
tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-(ethoxycarbonylamino)-4-thiophen-2-ylphenyl]carbamate;ethyl carbonochloridate
CID 157328097
3-(2-amino-5-thiophen-2-ylphenyl)-1,1-dimethylurea;tert-butyl N-[2-(dimethylcarbamoylamino)-4-thiophen-2-ylphenyl]carbamate;deuterioethane;2,2,2-trifluoroacetaldehyde
CID 160993478
tert-butyl N-[2-[[(E)-but-2-enyl]amino]-4-thiophen-2-ylphenyl]carbamate
CID 143559695
tert-butyl N-[2-[[4-(2-bromoethyl)benzoyl]amino]-4-thiophen-2-ylphenyl]carbamate
CID 154433126
tert-butyl N-[2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]-4-thiophen-2-ylphenyl]carbamate
CID 118701005
pyridin-2-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
CID 89183253
tert-butyl N-[2-[[4-[[2-(dimethylamino)ethoxycarbonylamino]methyl]benzoyl]amino]-4-thiophen-2-ylphenyl]carbamate
CID 59737521
N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide
CID 59736817
tert-butyl N-[2-[[4-[[(2-pyridin-3-ylacetyl)amino]methyl]benzoyl]amino]-4-thiophen-2-ylphenyl]carbamate
CID 59627341
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(3-hydroxy-3-methylbutyl)-methylphosphoryl]oxybenzamide
CID 90864626
tert-butyl N-[2-[[5-(methylsulfonimidoyl)-1-benzofuran-2-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate
CID 168792685

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethoxy)pyridine-2-carboxamide;tert-butyl N-[2-[[5-(2-methoxyethoxy)pyridine-2-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;5-(2-methoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethoxy)pyridine-2-carboxamide;tert-butyl N-[2-[[5-(2-methoxyethoxy)pyridine-2-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;5-(2-methoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate (CID 160944049) is N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethoxy)pyridine-2-carboxamide;tert-butyl N-[2-[[5-(2-methoxyethoxy)pyridine-2-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;5-(2-methoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethoxy)pyridine-2-carboxamide;tert-butyl N-[2-[[5-(2-methoxyethoxy)pyridine-2-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;5-(2-methoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethoxy)pyridine-2-carboxamide;tert-butyl N-[2-[[5-(2-methoxyethoxy)pyridine-2-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;5-(2-methoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate is COC(=O)c1ccc(O)cn1.COCCOc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)nc1.COCCOc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2NC(=O)OC(C)(C)C)nc1.COCCOc1ccc(C(=O)O)nc1.COCCOc1ccc(C(=O)OC)nc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethoxy)pyridine-2-carboxamide;tert-butyl N-[2-[[5-(2-methoxyethoxy)pyridine-2-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;5-(2-methoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate?
The InChIKey is SUWMPEBDQCNYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S.C19H19N3O3S.C10H13NO4.C9H11NO4.C7H7NO3/c1-24(2,3)32-23(29)27-18-9-7-16(21-6-5-13-33-21)14-20(18)26-22(28)19-10-8-17(15-25-19)31-12-11-30-4;1-24-8-9-25-14-5-7-16(21-12-14)19(23)22-17-11-13(4-6-15(17)20)18-3-2-10-26-18;1-13-5-6-15-8-3-4-9(11-7-8)10(12)14-2;1-13-4-5-14-7-2-3-8(9(11)12)10-6-7;1-11-7(10)6-3-2-5(9)4-8-6/h5-10,13-15H,11-12H2,1-4H3,(H,26,28)(H,27,29);2-7,10-12H,8-9,20H2,1H3,(H,22,23);3-4,7H,5-6H2,1-2H3;2-3,6H,4-5H2,1H3,(H,11,12);2-4,9H,1H3.
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethoxy)pyridine-2-carboxamide;tert-butyl N-[2-[[5-(2-methoxyethoxy)pyridine-2-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;5-(2-methoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate?
N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethoxy)pyridine-2-carboxamide;tert-butyl N-[2-[[5-(2-methoxyethoxy)pyridine-2-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;5-(2-methoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate has a molecular weight of 1400.55 g/mol, XLogP of 11.38, 26 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-5-(2-methoxyethoxy)pyridine-2-carboxamide;tert-butyl N-[2-[[5-(2-methoxyethoxy)pyridine-2-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;5-(2-methoxyethoxy)pyridine-2-carboxylic acid;methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 160944049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).