2-benzyl-3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propanoic acid

C24H22N4O4 — CID 56951391

IUPAC2-benzyl-3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propanoic acid
SMILESCn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCC(Cc4ccccc4)C(=O)O)c3)cc21
InChIInChI=1S/C24H22N4O4/c1-28-20-12-18(13-25-21(20)27-24(28)32)16-8-5-9-17(11-16)22(29)26-14-19(23(30)31)10-15-6-3-2-4-7-15/h2-9,11-13,19H,10,14H2,1H3,(H,26,29)(H,30,31)(H,25,27,32)
InChIKeyFMZVNWWLRGOIPX-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.60
Rot. Bonds7

About 2-benzyl-3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propanoic acid

2-benzyl-3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propanoic acid (PubChem CID 56951391) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-benzyl-3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-benzyl-3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propanoic acid
PubChem CID56951391
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name2-benzyl-3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propanoic acid
SMILESCn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCC(Cc4ccccc4)C(=O)O)c3)cc21
InChIInChI=1S/C24H22N4O4/c1-28-20-12-18(13-25-21(20)27-24(28)32)16-8-5-9-17(11-16)22(29)26-14-19(23(30)31)10-15-6-3-2-4-7-15/h2-9,11-13,19H,10,14H2,1H3,(H,26,29)(H,30,31)(H,25,27,32)
InChIKeyFMZVNWWLRGOIPX-UHFFFAOYSA-N
XLogP2.60
TPSA117.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-benzyl-3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propanoic acid with MolForge

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Related Compounds

N-[3-[3-(aminomethyl)phenyl]propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 56951514
N-[3-(1H-indol-3-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 56924673
3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 56951245
N-[1-(furan-2-yl)-2-methoxyethyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 75453858
2-[[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 120526768
N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 97310044
N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 146127384
1-methyl-6-[3-[4-(2-methyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 146127382
2-[[[3-(methylcarbamoyl)benzoyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 120526712
2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 119233951
2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid
CID 119231910
2-benzyl-3-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)propanoic acid
CID 75495605

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propanoic acid?
The IUPAC name of 2-benzyl-3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propanoic acid (CID 56951391) is 2-benzyl-3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-benzyl-3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-benzyl-3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propanoic acid is Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCC(Cc4ccccc4)C(=O)O)c3)cc21.
What is the InChIKey of 2-benzyl-3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propanoic acid?
The InChIKey is FMZVNWWLRGOIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-28-20-12-18(13-25-21(20)27-24(28)32)16-8-5-9-17(11-16)22(29)26-14-19(23(30)31)10-15-6-3-2-4-7-15/h2-9,11-13,19H,10,14H2,1H3,(H,26,29)(H,30,31)(H,25,27,32).
What are the key properties of 2-benzyl-3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propanoic acid?
2-benzyl-3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propanoic acid has a molecular weight of 430.46 g/mol, XLogP of 2.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 56951391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).