N-methyl-7-(4-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C16H15N3O2 — CID 58016455

IUPACN-methyl-7-(4-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2ccc(=O)n(-c3ccc(C)cc3)c2[nH]1
InChIInChI=1S/C16H15N3O2/c1-10-3-6-12(7-4-10)19-14(20)8-5-11-9-13(16(21)17-2)18-15(11)19/h3-9,18H,1-2H3,(H,17,21)
InChIKeyXSJMRTRTFATXGB-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.99
Rot. Bonds2

About N-methyl-7-(4-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-methyl-7-(4-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 58016455) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-methyl-7-(4-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-7-(4-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID58016455
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-methyl-7-(4-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2ccc(=O)n(-c3ccc(C)cc3)c2[nH]1
InChIInChI=1S/C16H15N3O2/c1-10-3-6-12(7-4-10)19-14(20)8-5-11-9-13(16(21)17-2)18-15(11)19/h3-9,18H,1-2H3,(H,17,21)
InChIKeyXSJMRTRTFATXGB-UHFFFAOYSA-N
XLogP1.99
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-7-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-one
CID 58016320
6-oxo-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 58051534
7-[4-(fluoromethoxy)phenyl]-N-(3-methoxyphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 118963769
N-(3-methoxyphenyl)-6-oxo-7-(4-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 118963780
N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
CID 177170209
6-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847855
7-(4-fluorophenyl)-4-[2-hydroxy-4-[2-[(3-methylsulfonylphenyl)carbamoyl]-6-oxo-1H-pyrrolo[2,3-b]pyridin-7-yl]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 123889222
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
N-methyl-5-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]-1H-indole-2-carboxamide
CID 166223466
N-(1-methylindol-6-yl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide
CID 71866929
1,3,5-tris(4-methylphenyl)-1,3,5-triazinane-2,4,6-trione
CID 584033
1-(4-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 47101401

Frequently Asked Questions

What is the IUPAC name of N-methyl-7-(4-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-methyl-7-(4-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 58016455) is N-methyl-7-(4-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-7-(4-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-7-(4-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is CNC(=O)c1cc2ccc(=O)n(-c3ccc(C)cc3)c2[nH]1.
What is the InChIKey of N-methyl-7-(4-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is XSJMRTRTFATXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-3-6-12(7-4-10)19-14(20)8-5-11-9-13(16(21)17-2)18-15(11)19/h3-9,18H,1-2H3,(H,17,21).
What are the key properties of N-methyl-7-(4-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-methyl-7-(4-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-(4-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 58016455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).