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

C18H20N6O2 — CID 121338296

IUPACN-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCc1ccnc(N2CCC(NC(=O)c3c[nH]c(=O)c4[nH]ccc34)CC2)n1
InChIInChI=1S/C18H20N6O2/c1-11-2-6-20-18(22-11)24-8-4-12(5-9-24)23-16(25)14-10-21-17(26)15-13(14)3-7-19-15/h2-3,6-7,10,12,19H,4-5,8-9H2,1H3,(H,21,26)(H,23,25)
InChIKeyQZYJLEVZGXIZLO-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.35
Rot. Bonds3

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

N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 121338296) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID121338296
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCc1ccnc(N2CCC(NC(=O)c3c[nH]c(=O)c4[nH]ccc34)CC2)n1
InChIInChI=1S/C18H20N6O2/c1-11-2-6-20-18(22-11)24-8-4-12(5-9-24)23-16(25)14-10-21-17(26)15-13(14)3-7-19-15/h2-3,6-7,10,12,19H,4-5,8-9H2,1H3,(H,21,26)(H,23,25)
InChIKeyQZYJLEVZGXIZLO-UHFFFAOYSA-N
XLogP1.35
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338208
2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172899580
(2S)-N-cyclopropyl-2-hydroxy-2-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]acetamide
CID 129489968
N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338389
N-cyclopentyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298035
N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-methylbenzamide
CID 136577669
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
N-[1-(4-carbamothioylpyrimidin-2-yl)piperidin-4-yl]acetamide
CID 107547961
5-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 47075099
N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-methylbenzamide
CID 134796384
3-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid
CID 62959980
N-cyclohexyl-5-methyl-1H-indole-7-carboxamide
CID 137382767

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carboxamide (CID 121338296) is N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carboxamide is Cc1ccnc(N2CCC(NC(=O)c3c[nH]c(=O)c4[nH]ccc34)CC2)n1.
What is the InChIKey of N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is QZYJLEVZGXIZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-11-2-6-20-18(22-11)24-8-4-12(5-9-24)23-16(25)14-10-21-17(26)15-13(14)3-7-19-15/h2-3,6-7,10,12,19H,4-5,8-9H2,1H3,(H,21,26)(H,23,25).
What are the key properties of N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carboxamide?
N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 121338296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).