1-methyl-N-pyridin-2-yl-2-(triazol-1-yl)piperidine-3-carboxamide

C14H18N6O — CID 67522359

IUPAC1-methyl-N-pyridin-2-yl-2-(triazol-1-yl)piperidine-3-carboxamide
SMILESCN1CCCC(C(=O)Nc2ccccn2)C1n1ccnn1
InChIInChI=1S/C14H18N6O/c1-19-9-4-5-11(14(19)20-10-8-16-18-20)13(21)17-12-6-2-3-7-15-12/h2-3,6-8,10-11,14H,4-5,9H2,1H3,(H,15,17,21)
InChIKeyKYHZJZAPZOUBRU-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.15
Rot. Bonds3

About 1-methyl-N-pyridin-2-yl-2-(triazol-1-yl)piperidine-3-carboxamide

1-methyl-N-pyridin-2-yl-2-(triazol-1-yl)piperidine-3-carboxamide (PubChem CID 67522359) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-methyl-N-pyridin-2-yl-2-(triazol-1-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-pyridin-2-yl-2-(triazol-1-yl)piperidine-3-carboxamide
PubChem CID67522359
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name1-methyl-N-pyridin-2-yl-2-(triazol-1-yl)piperidine-3-carboxamide
SMILESCN1CCCC(C(=O)Nc2ccccn2)C1n1ccnn1
InChIInChI=1S/C14H18N6O/c1-19-9-4-5-11(14(19)20-10-8-16-18-20)13(21)17-12-6-2-3-7-15-12/h2-3,6-8,10-11,14H,4-5,9H2,1H3,(H,15,17,21)
InChIKeyKYHZJZAPZOUBRU-UHFFFAOYSA-N
XLogP1.15
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 756841
1-propan-2-yl-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 59706248
trans-(1S,2R)-2-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 141282806
1-(1-methylpyrrole-2-carbonyl)-N-pyridin-2-ylpiperidine-3-carboxamide
CID 126799508
(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 51927409
(1R,2R,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 40532945
(1S,2S,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 98329182
(2E)-2-(cyclohexylmethylidene)-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 15605895
(2R,3R)-1-methyl-5-oxo-2-phenyl-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 29131786
1-[4-[(4-methylphenyl)carbamoylamino]phenyl]sulfonyl-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 159988634
N-pyridin-2-yl-1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidine-4-carboxamide
CID 55808596
ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate
CID 46578071

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-pyridin-2-yl-2-(triazol-1-yl)piperidine-3-carboxamide?
The IUPAC name of 1-methyl-N-pyridin-2-yl-2-(triazol-1-yl)piperidine-3-carboxamide (CID 67522359) is 1-methyl-N-pyridin-2-yl-2-(triazol-1-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-pyridin-2-yl-2-(triazol-1-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-pyridin-2-yl-2-(triazol-1-yl)piperidine-3-carboxamide is CN1CCCC(C(=O)Nc2ccccn2)C1n1ccnn1.
What is the InChIKey of 1-methyl-N-pyridin-2-yl-2-(triazol-1-yl)piperidine-3-carboxamide?
The InChIKey is KYHZJZAPZOUBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-19-9-4-5-11(14(19)20-10-8-16-18-20)13(21)17-12-6-2-3-7-15-12/h2-3,6-8,10-11,14H,4-5,9H2,1H3,(H,15,17,21).
What are the key properties of 1-methyl-N-pyridin-2-yl-2-(triazol-1-yl)piperidine-3-carboxamide?
1-methyl-N-pyridin-2-yl-2-(triazol-1-yl)piperidine-3-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-pyridin-2-yl-2-(triazol-1-yl)piperidine-3-carboxamide is sourced from PubChem (CID 67522359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).