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

C13H16N6O — CID 75512496

IUPAC2-pyrrolidin-1-yl-N-(2H-triazol-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cn[nH]n1)c1cccnc1N1CCCC1
InChIInChI=1S/C13H16N6O/c20-13(15-8-10-9-16-18-17-10)11-4-3-5-14-12(11)19-6-1-2-7-19/h3-5,9H,1-2,6-8H2,(H,15,20)(H,16,17,18)
InChIKeyLGCDKDWOBQVJSH-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.73
Rot. Bonds4

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

2-pyrrolidin-1-yl-N-(2H-triazol-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 75512496) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-(2H-triazol-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-(2H-triazol-4-ylmethyl)pyridine-3-carboxamide
PubChem CID75512496
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name2-pyrrolidin-1-yl-N-(2H-triazol-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cn[nH]n1)c1cccnc1N1CCCC1
InChIInChI=1S/C13H16N6O/c20-13(15-8-10-9-16-18-17-10)11-4-3-5-14-12(11)19-6-1-2-7-19/h3-5,9H,1-2,6-8H2,(H,15,20)(H,16,17,18)
InChIKeyLGCDKDWOBQVJSH-UHFFFAOYSA-N
XLogP0.73
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55755699
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
N-(3-aminopropyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119407815
N-(2-aminoethyl)-2-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119383900
N-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 9403592
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 3417086
N-[3-chloro-4-(pyridin-2-ylmethylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 78886067
2-pyrrolidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 17482313
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
N-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 86998055
N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26996536

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-(2H-triazol-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-pyrrolidin-1-yl-N-(2H-triazol-4-ylmethyl)pyridine-3-carboxamide (CID 75512496) is 2-pyrrolidin-1-yl-N-(2H-triazol-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-(2H-triazol-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-pyrrolidin-1-yl-N-(2H-triazol-4-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cn[nH]n1)c1cccnc1N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-yl-N-(2H-triazol-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is LGCDKDWOBQVJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c20-13(15-8-10-9-16-18-17-10)11-4-3-5-14-12(11)19-6-1-2-7-19/h3-5,9H,1-2,6-8H2,(H,15,20)(H,16,17,18).
What are the key properties of 2-pyrrolidin-1-yl-N-(2H-triazol-4-ylmethyl)pyridine-3-carboxamide?
2-pyrrolidin-1-yl-N-(2H-triazol-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-(2H-triazol-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 75512496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).