N-[4-(6-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide

C25H19N5O2 — CID 11618648

IUPACN-[4-(6-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide
SMILESNc1cc2c(ccn2-c2ccc(NC(=O)c3cccn(-c4ccccc4)c3=O)cc2)cn1
InChIInChI=1S/C25H19N5O2/c26-23-15-22-17(16-27-23)12-14-29(22)20-10-8-18(9-11-20)28-24(31)21-7-4-13-30(25(21)32)19-5-2-1-3-6-19/h1-16H,(H2,26,27)(H,28,31)
InChIKeyHFKIFRCNKGLNDB-UHFFFAOYSA-N
MW421.46 g/mol
LogP4.01
Rot. Bonds4

About N-[4-(6-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide

N-[4-(6-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide (PubChem CID 11618648) has the molecular formula C25H19N5O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[4-(6-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(6-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide
PubChem CID11618648
Molecular FormulaC25H19N5O2
Molecular Weight421.46 g/mol
Exact Mass421.15
IUPAC NameN-[4-(6-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide
SMILESNc1cc2c(ccn2-c2ccc(NC(=O)c3cccn(-c4ccccc4)c3=O)cc2)cn1
InChIInChI=1S/C25H19N5O2/c26-23-15-22-17(16-27-23)12-14-29(22)20-10-8-18(9-11-20)28-24(31)21-7-4-13-30(25(21)32)19-5-2-1-3-6-19/h1-16H,(H2,26,27)(H,28,31)
InChIKeyHFKIFRCNKGLNDB-UHFFFAOYSA-N
XLogP4.01
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(6-chloro-1,7-naphthyridin-4-yl)amino]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide
CID 156871819
1-[4-[(2-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 53119471
1-(4-benzamidophenyl)-N-cyclopropyl-2-oxopyridine-3-carboxamide
CID 53119413
N-methyl-2-oxo-1-phenylpyridine-3-carboxamide
CID 143596637
1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-2-oxopyridine-3-carboxamide
CID 53119333
1-(4-benzamidophenyl)-N-cyclohexyl-2-oxopyridine-3-carboxamide
CID 53119460
1-(4-acetamidophenyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 20974500
1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(1-phenylethyl)pyridine-3-carboxamide
CID 53119353
1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-2-oxopyridine-3-carboxamide
CID 53119327
2-oxo-1-phenyl-N-[4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)amino]phenyl]pyridine-3-carboxamide
CID 156871709
2-oxo-1-phenyl-N-[4-[[6-(1H-pyrazol-4-yl)-1,7-naphthyridin-4-yl]amino]phenyl]pyridine-3-carboxamide
CID 166779716
N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide
CID 140810623

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide?
The IUPAC name of N-[4-(6-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide (CID 11618648) is N-[4-(6-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(6-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(6-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide is Nc1cc2c(ccn2-c2ccc(NC(=O)c3cccn(-c4ccccc4)c3=O)cc2)cn1.
What is the InChIKey of N-[4-(6-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide?
The InChIKey is HFKIFRCNKGLNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O2/c26-23-15-22-17(16-27-23)12-14-29(22)20-10-8-18(9-11-20)28-24(31)21-7-4-13-30(25(21)32)19-5-2-1-3-6-19/h1-16H,(H2,26,27)(H,28,31).
What are the key properties of N-[4-(6-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide?
N-[4-(6-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide is sourced from PubChem (CID 11618648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).