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

C13H16N6O — CID 79388465

IUPAC2-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1cccnc1-n1cncn1
InChIInChI=1S/C13H16N6O/c1-9-10(4-6-15-9)13(20)18-11-3-2-5-16-12(11)19-8-14-7-17-19/h2-3,5,7-10,15H,4,6H2,1H3,(H,18,20)
InChIKeyYKFFHOTWUPXQKL-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.60
Rot. Bonds3

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

2-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide (PubChem CID 79388465) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide
PubChem CID79388465
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name2-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1cccnc1-n1cncn1
InChIInChI=1S/C13H16N6O/c1-9-10(4-6-15-9)13(20)18-11-3-2-5-16-12(11)19-8-14-7-17-19/h2-3,5,7-10,15H,4,6H2,1H3,(H,18,20)
InChIKeyYKFFHOTWUPXQKL-UHFFFAOYSA-N
XLogP0.60
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide
CID 114423652
(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
N-(2-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide
CID 79388659
2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide
CID 64822462
N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]adamantane-2-carboxamide
CID 167868250
3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-2-carboxamide
CID 107067527
2-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 79389147
2-methyl-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 79383379
N-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382669
N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51098013

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide (CID 79388465) is 2-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide is CC1NCCC1C(=O)Nc1cccnc1-n1cncn1.
What is the InChIKey of 2-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide?
The InChIKey is YKFFHOTWUPXQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-9-10(4-6-15-9)13(20)18-11-3-2-5-16-12(11)19-8-14-7-17-19/h2-3,5,7-10,15H,4,6H2,1H3,(H,18,20).
What are the key properties of 2-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide?
2-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 79388465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).