4-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide

C14H18N6O — CID 114423652

IUPAC4-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2cccnc2-n2cncn2)C1
InChIInChI=1S/C14H18N6O/c1-10-4-6-16-12(7-10)14(21)19-11-3-2-5-17-13(11)20-9-15-8-18-20/h2-3,5,8-10,12,16H,4,6-7H2,1H3,(H,19,21)
InChIKeyIKIXOQHZFYWZIN-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.99
Rot. Bonds3

About 4-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide

4-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide (PubChem CID 114423652) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide
PubChem CID114423652
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name4-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2cccnc2-n2cncn2)C1
InChIInChI=1S/C14H18N6O/c1-10-4-6-16-12(7-10)14(21)19-11-3-2-5-17-13(11)20-9-15-8-18-20/h2-3,5,8-10,12,16H,4,6-7H2,1H3,(H,19,21)
InChIKeyIKIXOQHZFYWZIN-UHFFFAOYSA-N
XLogP0.99
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 61169536
(2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide
CID 104913644
(2R)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide
CID 104913643
2-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 79388465
N-(2-chloro-3-pyridinyl)-4-methylpiperidine-2-carboxamide
CID 114423016
N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]adamantane-2-carboxamide
CID 167868250
2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide
CID 64822462
(2S)-N-[2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
CID 104913002
(2S)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
CID 104913077
3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-2-carboxamide
CID 107067527
4-methyl-N-quinolin-6-ylpiperidine-2-carboxamide
CID 114423932
4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 114422580

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide?
The IUPAC name of 4-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide (CID 114423652) is 4-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide is CC1CCNC(C(=O)Nc2cccnc2-n2cncn2)C1.
What is the InChIKey of 4-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide?
The InChIKey is IKIXOQHZFYWZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-10-4-6-16-12(7-10)14(21)19-11-3-2-5-17-13(11)20-9-15-8-18-20/h2-3,5,8-10,12,16H,4,6-7H2,1H3,(H,19,21).
What are the key properties of 4-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide?
4-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide is sourced from PubChem (CID 114423652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).