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

C12H15N5O — CID 60717518

IUPACN-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1nnc2ccccn12)C1CCCN1
InChIInChI=1S/C12H15N5O/c18-12(9-4-3-6-13-9)14-8-11-16-15-10-5-1-2-7-17(10)11/h1-2,5,7,9,13H,3-4,6,8H2,(H,14,18)
InChIKeyFLJKFLCWDJXXOE-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.10
Rot. Bonds3

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

N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 60717518) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID60717518
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1nnc2ccccn12)C1CCCN1
InChIInChI=1S/C12H15N5O/c18-12(9-4-3-6-13-9)14-8-11-16-15-10-5-1-2-7-17(10)11/h1-2,5,7,9,13H,3-4,6,8H2,(H,14,18)
InChIKeyFLJKFLCWDJXXOE-UHFFFAOYSA-N
XLogP0.10
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride
CID 119833084
2-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 64823445
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119836858
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 42917710
cis-(1S,2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93365838
3-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119833088
(1'S,5'R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide
CID 26009015
(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 61164033
(2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 63293809
2-(azepan-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 131897084
2-cyclopent-2-en-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 47008777
1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 97086236

Frequently Asked Questions

What is the IUPAC name of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (CID 60717518) is N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCc1nnc2ccccn12)C1CCCN1.
What is the InChIKey of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is FLJKFLCWDJXXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c18-12(9-4-3-6-13-9)14-8-11-16-15-10-5-1-2-7-17(10)11/h1-2,5,7,9,13H,3-4,6,8H2,(H,14,18).
What are the key properties of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 60717518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).