N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C13H17N7O — CID 86207135

IUPACN-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CCCN(c3ncccn3)C2)n[nH]1
InChIInChI=1S/C13H17N7O/c1-9-16-12(19-18-9)17-11(21)10-4-2-7-20(8-10)13-14-5-3-6-15-13/h3,5-6,10H,2,4,7-8H2,1H3,(H2,16,17,18,19,21)
InChIKeyYBBWUPYTLNOGBU-UHFFFAOYSA-N
MW287.33 g/mol
LogP0.76
Rot. Bonds3

About N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 86207135) has the molecular formula C13H17N7O and a molecular weight of 287.33 g/mol. Its IUPAC name is N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID86207135
Molecular FormulaC13H17N7O
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CCCN(c3ncccn3)C2)n[nH]1
InChIInChI=1S/C13H17N7O/c1-9-16-12(19-18-9)17-11(21)10-4-2-7-20(8-10)13-14-5-3-6-15-13/h3,5-6,10H,2,4,7-8H2,1H3,(H2,16,17,18,19,21)
InChIKeyYBBWUPYTLNOGBU-UHFFFAOYSA-N
XLogP0.76
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96556820
1-(cyclopropanecarbonyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide
CID 78928337
3-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1,3-dicarboxamide
CID 78927822
N-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide
CID 78928145
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
(3R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 94796113
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221264
(3R)-N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452473
N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55557554
(3S)-N-(1,5-dimethylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 99805424
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 86207135) is N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is Cc1nc(NC(=O)C2CCCN(c3ncccn3)C2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is YBBWUPYTLNOGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O/c1-9-16-12(19-18-9)17-11(21)10-4-2-7-20(8-10)13-14-5-3-6-15-13/h3,5-6,10H,2,4,7-8H2,1H3,(H2,16,17,18,19,21).
What are the key properties of N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 287.33 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 86207135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).