(2S)-N-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide

C17H19N5O2 — CID 71003452

IUPAC(2S)-N-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)n(Cc3ccccc3)c2n1
InChIInChI=1S/C17H19N5O2/c1-11(18-2)16(23)21-14-9-8-13-15(20-14)22(17(24)19-13)10-12-6-4-3-5-7-12/h3-9,11,18H,10H2,1-2H3,(H,19,24)(H,20,21,23)/t11-/m0/s1
InChIKeyNWCKLCDSFCGWDL-NSHDSACASA-N
MW325.37 g/mol
LogP1.32
Rot. Bonds5

About (2S)-N-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide

(2S)-N-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide (PubChem CID 71003452) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2S)-N-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide
PubChem CID71003452
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(2S)-N-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)n(Cc3ccccc3)c2n1
InChIInChI=1S/C17H19N5O2/c1-11(18-2)16(23)21-14-9-8-13-15(20-14)22(17(24)19-13)10-12-6-4-3-5-7-12/h3-9,11,18H,10H2,1-2H3,(H,19,24)(H,20,21,23)/t11-/m0/s1
InChIKeyNWCKLCDSFCGWDL-NSHDSACASA-N
XLogP1.32
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-N-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide with MolForge

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Related Compounds

2-Amino-1-(2-(4-fluorophenyl)-3-((4-fluorophenyl)amino)-5,6-dihydro-8,8-dimethylimidazo(1,2-a)pyrazin-7(8H)-yl)ethanone
CID 49856296
L-375378
CID 154118
N-(6-Amino-2,4-dimethyl-pyridin-3-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 6426822
N-((6-amino-2-methylpyridin-3-yl)methyl)-2-(3-(2,2-difluoro-2-phenylethylamino)-6-methyl-2-oxopyrazin-1(2H)-yl)acetamide
CID 11762017
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-3-((R)-1-methyl-2-phenyl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-acetamide
CID 11796404
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 118174089
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CID 5379357
8-(2-Amino-phenyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
CID 13525082
(R)-5-chloro-1-(1-cyclopropylethyl)-3-(6-(dimethylamino)-2,5-dimethylpyridin-3-ylamino)pyrazin-2(1H)-one
CID 46881748
1-[(4-methylphenyl)methyl]-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 16573437
1-benzyl-N-(6-methylpyridin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 24687433
2-(2,4-dioxo-1,3-diazaspiro[4.4]non-3-yl)-N-(6-methylpyridin-2-yl)acetamide
CID 24981032

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide (CID 71003452) is (2S)-N-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide is CN[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)n(Cc3ccccc3)c2n1.
What is the InChIKey of (2S)-N-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide?
The InChIKey is NWCKLCDSFCGWDL-NSHDSACASA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11(18-2)16(23)21-14-9-8-13-15(20-14)22(17(24)19-13)10-12-6-4-3-5-7-12/h3-9,11,18H,10H2,1-2H3,(H,19,24)(H,20,21,23)/t11-/m0/s1.
What are the key properties of (2S)-N-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide?
(2S)-N-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide has a molecular weight of 325.37 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide is sourced from PubChem (CID 71003452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).