1-acetyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-2-carboxamide

C13H15N5O2 — CID 157012055

IUPAC1-acetyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)Nc1nnc2ccccn12
InChIInChI=1S/C13H15N5O2/c1-9(19)17-8-4-5-10(17)12(20)14-13-16-15-11-6-2-3-7-18(11)13/h2-3,6-7,10H,4-5,8H2,1H3,(H,14,16,20)
InChIKeyMBAWXCXBSMSCGX-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.68
Rot. Bonds2

About 1-acetyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-2-carboxamide

1-acetyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-2-carboxamide (PubChem CID 157012055) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-acetyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-2-carboxamide
PubChem CID157012055
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name1-acetyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)Nc1nnc2ccccn12
InChIInChI=1S/C13H15N5O2/c1-9(19)17-8-4-5-10(17)12(20)14-13-16-15-11-6-2-3-7-18(11)13/h2-3,6-7,10H,4-5,8H2,1H3,(H,14,16,20)
InChIKeyMBAWXCXBSMSCGX-UHFFFAOYSA-N
XLogP0.68
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolane-2-carboxamide
CID 53204396
(2S,3S)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxane-3-carboxamide
CID 129492539
(2S,3R)-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxane-3-carboxamide
CID 129492540
(2S)-1-acetyl-N-(1-methyl-4-phenylimidazol-2-yl)pyrrolidine-2-carboxamide
CID 167798698
methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 91765217
2-[2-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]acetic acid
CID 119353114
(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51089557
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
1-(5-methylthiophen-2-yl)sulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 55603957
(2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 53302967
(2S)-1-(3,5-dichlorobenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 51938352
1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 86911818

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-2-carboxamide (CID 157012055) is 1-acetyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)Nc1nnc2ccccn12.
What is the InChIKey of 1-acetyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is MBAWXCXBSMSCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-9(19)17-8-4-5-10(17)12(20)14-13-16-15-11-6-2-3-7-18(11)13/h2-3,6-7,10H,4-5,8H2,1H3,(H,14,16,20).
What are the key properties of 1-acetyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-2-carboxamide?
1-acetyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 157012055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).