2-(3-methylpyrrolidin-1-yl)-N-(2H-triazol-4-yl)pyridine-4-carboxamide

C13H16N6O — CID 166256636

IUPAC2-(3-methylpyrrolidin-1-yl)-N-(2H-triazol-4-yl)pyridine-4-carboxamide
SMILESCC1CCN(c2cc(C(=O)Nc3cn[nH]n3)ccn2)C1
InChIInChI=1S/C13H16N6O/c1-9-3-5-19(8-9)12-6-10(2-4-14-12)13(20)16-11-7-15-18-17-11/h2,4,6-7,9H,3,5,8H2,1H3,(H2,15,16,17,18,20)
InChIKeyKHSBYODXGUEGSL-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.30
Rot. Bonds3

About 2-(3-methylpyrrolidin-1-yl)-N-(2H-triazol-4-yl)pyridine-4-carboxamide

2-(3-methylpyrrolidin-1-yl)-N-(2H-triazol-4-yl)pyridine-4-carboxamide (PubChem CID 166256636) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(3-methylpyrrolidin-1-yl)-N-(2H-triazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-methylpyrrolidin-1-yl)-N-(2H-triazol-4-yl)pyridine-4-carboxamide
PubChem CID166256636
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name2-(3-methylpyrrolidin-1-yl)-N-(2H-triazol-4-yl)pyridine-4-carboxamide
SMILESCC1CCN(c2cc(C(=O)Nc3cn[nH]n3)ccn2)C1
InChIInChI=1S/C13H16N6O/c1-9-3-5-19(8-9)12-6-10(2-4-14-12)13(20)16-11-7-15-18-17-11/h2,4,6-7,9H,3,5,8H2,1H3,(H2,15,16,17,18,20)
InChIKeyKHSBYODXGUEGSL-UHFFFAOYSA-N
XLogP1.30
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 122149926
N-(3-acetamidophenyl)-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175784
ethyl 4-[[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]amino]benzoate
CID 109175803
N-(2-bromophenyl)-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109166535
2-(3-methylpyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-4-carboxamide;dihydrochloride
CID 120811376
(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109175718
2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 109166542
N-(2,5-dimethoxyphenyl)-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175778
N-cyclohexylsulfonyl-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 136544144
2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62282295
N-pyridin-2-yl-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574823
(3S)-2-[2-(3-methylpyrrolidin-1-yl)pyridine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 166307671

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrrolidin-1-yl)-N-(2H-triazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-methylpyrrolidin-1-yl)-N-(2H-triazol-4-yl)pyridine-4-carboxamide (CID 166256636) is 2-(3-methylpyrrolidin-1-yl)-N-(2H-triazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-methylpyrrolidin-1-yl)-N-(2H-triazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-methylpyrrolidin-1-yl)-N-(2H-triazol-4-yl)pyridine-4-carboxamide is CC1CCN(c2cc(C(=O)Nc3cn[nH]n3)ccn2)C1.
What is the InChIKey of 2-(3-methylpyrrolidin-1-yl)-N-(2H-triazol-4-yl)pyridine-4-carboxamide?
The InChIKey is KHSBYODXGUEGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-9-3-5-19(8-9)12-6-10(2-4-14-12)13(20)16-11-7-15-18-17-11/h2,4,6-7,9H,3,5,8H2,1H3,(H2,15,16,17,18,20).
What are the key properties of 2-(3-methylpyrrolidin-1-yl)-N-(2H-triazol-4-yl)pyridine-4-carboxamide?
2-(3-methylpyrrolidin-1-yl)-N-(2H-triazol-4-yl)pyridine-4-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrrolidin-1-yl)-N-(2H-triazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 166256636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).