2-[(2-cyano-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid

C17H12N4O4 — CID 91059975

IUPAC2-[(2-cyano-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid
SMILESN#Cc1cc2c(O)c(C(=O)NCC(=O)O)nc(-c3ccccc3)c2[nH]1
InChIInChI=1S/C17H12N4O4/c18-7-10-6-11-14(20-10)13(9-4-2-1-3-5-9)21-15(16(11)24)17(25)19-8-12(22)23/h1-6,20,24H,8H2,(H,19,25)(H,22,23)
InChIKeyHRYXKMVCEAGCFD-UHFFFAOYSA-N
MW336.31 g/mol
LogP1.62
Rot. Bonds4

About 2-[(2-cyano-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid

2-[(2-cyano-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid (PubChem CID 91059975) has the molecular formula C17H12N4O4 and a molecular weight of 336.31 g/mol. Its IUPAC name is 2-[(2-cyano-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-cyano-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid
PubChem CID91059975
Molecular FormulaC17H12N4O4
Molecular Weight336.31 g/mol
Exact Mass336.09
IUPAC Name2-[(2-cyano-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid
SMILESN#Cc1cc2c(O)c(C(=O)NCC(=O)O)nc(-c3ccccc3)c2[nH]1
InChIInChI=1S/C17H12N4O4/c18-7-10-6-11-14(20-10)13(9-4-2-1-3-5-9)21-15(16(11)24)17(25)19-8-12(22)23/h1-6,20,24H,8H2,(H,19,25)(H,22,23)
InChIKeyHRYXKMVCEAGCFD-UHFFFAOYSA-N
XLogP1.62
TPSA139.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[(2-cyano-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid with MolForge

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Related Compounds

[(1,3-Dibenzyl-8-cyano-5-hydroxy-2-oxo-1,2-dihydro-[1,7]naphthyridine-6-carbonyl)-amino]-acetic acid
CID 60152910
[(1-Benzyl-8-cyano-5-hydroxy-2-oxo-3-phenyl-1,2-dihydro-[1,7]naphthyridine-6-carbonyl)-amino]-acetic acid
CID 68297248
N-(5-(2-hydroxybenzamido)pentyl)-1-methyl-9h-pyrido[3,4-b]indole-3-carboxamide
CID 129892479
(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 70683698
Dichotomide IX
CID 50906514
3-[(1-Benzyl-8-cyano-5-hydroxy-2-oxo-3-phenyl-1,2-dihydro-[1,7]naphthyridine-6-carbonyl)-amino]-propionic acid
CID 60152766
3-[(1,3-Dibenzyl-8-cyano-5-hydroxy-2-oxo-1,2-dihydro-[1,7]naphthyridine-6-carbonyl)-amino]-propionic acid
CID 60152911
N-(4-(2-hydroxybenzamido)butyl)-1-methyl-9h-pyrido[3,4-b]indole-3-carboxamide
CID 129892461
(S)-2-[(1-Benzyl-8-cyano-5-hydroxy-2-oxo-3-phenyl-1,2-dihydro-[1,7]naphthyridine-6-carbonyl)-amino]-3-phenyl-propionic acid
CID 60150849
4-[(1-Benzyl-8-cyano-5-hydroxy-2-oxo-3-phenyl-1,2-dihydro-[1,7]naphthyridine-6-carbonyl)-amino]-butyric acid
CID 60152636
(R)-2-[(1-Benzyl-8-cyano-5-hydroxy-2-oxo-3-phenyl-1,2-dihydro-[1,7]naphthyridine-6-carbonyl)-amino]-3-phenyl-propionic acid
CID 86714112
4-hydroxy-9-(methoxymethyl)-N-methylpyrido[3,4-b]indole-3-carboxamide
CID 15213498

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-cyano-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid (CID 91059975) is 2-[(2-cyano-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-cyano-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-cyano-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid is N#Cc1cc2c(O)c(C(=O)NCC(=O)O)nc(-c3ccccc3)c2[nH]1.
What is the InChIKey of 2-[(2-cyano-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid?
The InChIKey is HRYXKMVCEAGCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O4/c18-7-10-6-11-14(20-10)13(9-4-2-1-3-5-9)21-15(16(11)24)17(25)19-8-12(22)23/h1-6,20,24H,8H2,(H,19,25)(H,22,23).
What are the key properties of 2-[(2-cyano-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid?
2-[(2-cyano-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid has a molecular weight of 336.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-4-hydroxy-7-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 91059975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).