6-(pyrrolidine-1-carbonyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide

C19H20N6O2 — CID 126791249

IUPAC6-(pyrrolidine-1-carbonyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide
SMILESCC(NC(=O)c1cccc(C(=O)N2CCCC2)n1)c1nnc2ccccn12
InChIInChI=1S/C19H20N6O2/c1-13(17-23-22-16-9-2-3-12-25(16)17)20-18(26)14-7-6-8-15(21-14)19(27)24-10-4-5-11-24/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,20,26)
InChIKeyQYTIHNPWNHSVDG-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.85
Rot. Bonds4

About 6-(pyrrolidine-1-carbonyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide

6-(pyrrolidine-1-carbonyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide (PubChem CID 126791249) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 6-(pyrrolidine-1-carbonyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(pyrrolidine-1-carbonyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide
PubChem CID126791249
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name6-(pyrrolidine-1-carbonyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide
SMILESCC(NC(=O)c1cccc(C(=O)N2CCCC2)n1)c1nnc2ccccn12
InChIInChI=1S/C19H20N6O2/c1-13(17-23-22-16-9-2-3-12-25(16)17)20-18(26)14-7-6-8-15(21-14)19(27)24-10-4-5-11-24/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,20,26)
InChIKeyQYTIHNPWNHSVDG-UHFFFAOYSA-N
XLogP1.85
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]naphthalene-1-carboxamide
CID 47013032
2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
CID 7693263
6-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109093636
4-(2-oxopiperidin-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51248036
3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51247608
1-methoxy-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoquinoline-3-carboxamide
CID 96543572
N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 23474179
2-(methylamino)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 55097089
2-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 43703564
2,2,2-trifluoro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 62492143
N-(2-methylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109094386
4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 47013078

Frequently Asked Questions

What is the IUPAC name of 6-(pyrrolidine-1-carbonyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-(pyrrolidine-1-carbonyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide (CID 126791249) is 6-(pyrrolidine-1-carbonyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(pyrrolidine-1-carbonyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(pyrrolidine-1-carbonyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide is CC(NC(=O)c1cccc(C(=O)N2CCCC2)n1)c1nnc2ccccn12.
What is the InChIKey of 6-(pyrrolidine-1-carbonyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is QYTIHNPWNHSVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-13(17-23-22-16-9-2-3-12-25(16)17)20-18(26)14-7-6-8-15(21-14)19(27)24-10-4-5-11-24/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,20,26).
What are the key properties of 6-(pyrrolidine-1-carbonyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide?
6-(pyrrolidine-1-carbonyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrrolidine-1-carbonyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 126791249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).