6-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C19H22N6O2 — CID 121338208

IUPAC6-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCc1ccnc(N2CCC(NC(=O)c3cn(C)c(=O)c4[nH]ccc34)CC2)n1
InChIInChI=1S/C19H22N6O2/c1-12-3-7-21-19(22-12)25-9-5-13(6-10-25)23-17(26)15-11-24(2)18(27)16-14(15)4-8-20-16/h3-4,7-8,11,13,20H,5-6,9-10H2,1-2H3,(H,23,26)
InChIKeyBRBDWIPMFLQTFX-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.36
Rot. Bonds3

About 6-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

6-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 121338208) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 6-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID121338208
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name6-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCc1ccnc(N2CCC(NC(=O)c3cn(C)c(=O)c4[nH]ccc34)CC2)n1
InChIInChI=1S/C19H22N6O2/c1-12-3-7-21-19(22-12)25-9-5-13(6-10-25)23-17(26)15-11-24(2)18(27)16-14(15)4-8-20-16/h3-4,7-8,11,13,20H,5-6,9-10H2,1-2H3,(H,23,26)
InChIKeyBRBDWIPMFLQTFX-UHFFFAOYSA-N
XLogP1.36
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338296
N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338389
N-[4-[cyclobutyl-(1-propan-2-ylpiperidin-4-yl)carbamoyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-[(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carbonyl)amino]piperidin-1-yl]pyrimidine-4-carbonitrilium
CID 163583588
2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172899580
tert-butyl 3-[(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carbonyl)amino]pyrrolidine-1-carboxylate;molecular hydrogen
CID 145081230
6-methyl-4-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121338202
(2S)-N-cyclopropyl-2-hydroxy-2-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]acetamide
CID 129489968
N-[(4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 145081572
N,2-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide
CID 158222217
N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338536
6-methyl-7-oxo-N-(2-piperidin-4-ylethyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338347
6-methyl-N-(oxan-4-ylmethyl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338309

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 6-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 121338208) is 6-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 6-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is Cc1ccnc(N2CCC(NC(=O)c3cn(C)c(=O)c4[nH]ccc34)CC2)n1.
What is the InChIKey of 6-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is BRBDWIPMFLQTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-12-3-7-21-19(22-12)25-9-5-13(6-10-25)23-17(26)15-11-24(2)18(27)16-14(15)4-8-20-16/h3-4,7-8,11,13,20H,5-6,9-10H2,1-2H3,(H,23,26).
What are the key properties of 6-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
6-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 121338208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).