N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide

C22H23N3O4 — CID 177038655

IUPACN-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(-c3cc(C4CC4)ccn3)cc2c1C(=O)N(C)C(CO)C(N)=O
InChIInChI=1S/C22H23N3O4/c1-12-20(22(28)25(2)18(11-26)21(23)27)16-9-15(5-6-19(16)29-12)17-10-14(7-8-24-17)13-3-4-13/h5-10,13,18,26H,3-4,11H2,1-2H3,(H2,23,27)
InChIKeyMSCMJMDXPDRATL-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.60
Rot. Bonds6

About N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide

N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide (PubChem CID 177038655) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide
PubChem CID177038655
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(-c3cc(C4CC4)ccn3)cc2c1C(=O)N(C)C(CO)C(N)=O
InChIInChI=1S/C22H23N3O4/c1-12-20(22(28)25(2)18(11-26)21(23)27)16-9-15(5-6-19(16)29-12)17-10-14(7-8-24-17)13-3-4-13/h5-10,13,18,26H,3-4,11H2,1-2H3,(H2,23,27)
InChIKeyMSCMJMDXPDRATL-UHFFFAOYSA-N
XLogP2.60
TPSA109.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-{[6-(2-{2-[(2R)-methylpyrrolidinyl]ethyl}-1-benzofuran-5-yl)-3-pyridinyl]carbonyl}morpholine
CID 44374493
4-[(6-{2-[2-(4-Methyl-1-piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine
CID 22274462
Benzofuran-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606573
(6-{2-[2-((2R,5R)-2,5-Dimethyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-pyridin-3-yl)-morpholin-4-yl-methanone
CID 44374695
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275242
2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275359
2-(4-Fluorophenyl)-6-(n-(2-hydroxyethyl)methylsulfonamido)-n-methyl-5-(3-(1-(pyridin-2-yl)cyclopropylcarbamoyl)phenyl)benzofuran-3-carboxamide
CID 59275584
4-(Benzo[d]furan-2-ylcarbonyl)-1-[3-(diethylamino)propyl]-3-hydroxy-5-(2-pyrid yl)-3-pyrrolin-2-one
CID 661982
4-(benzofuran-2-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-2-yl)-1H-pyrrol-2(5H)-one
CID 3821970
(6-{2-[2-(3-Hydroxy-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-pyridin-3-yl)-morpholin-4-yl-methanone
CID 22274513
(6-{2-[2-((R)-2-Hydroxymethyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-pyridin-3-yl)-morpholin-4-yl-methanone
CID 44374751
2-(4-benzhydrylpiperazin-1-yl)-2-(1-benzofuran-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 44535545

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide (CID 177038655) is N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide is Cc1oc2ccc(-c3cc(C4CC4)ccn3)cc2c1C(=O)N(C)C(CO)C(N)=O.
What is the InChIKey of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide?
The InChIKey is MSCMJMDXPDRATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-12-20(22(28)25(2)18(11-26)21(23)27)16-9-15(5-6-19(16)29-12)17-10-14(7-8-24-17)13-3-4-13/h5-10,13,18,26H,3-4,11H2,1-2H3,(H2,23,27).
What are the key properties of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide?
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 177038655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).