N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C19H15ClN4O2 — CID 134798995

IUPACN-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc2nnc(Cc3ccco3)n2c1
InChIInChI=1S/C19H15ClN4O2/c20-16-6-2-1-4-13(16)11-21-19(25)14-7-8-17-22-23-18(24(17)12-14)10-15-5-3-9-26-15/h1-9,12H,10-11H2,(H,21,25)
InChIKeyLIXONWBVUYWOGL-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.50
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134798995) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134798995
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc2nnc(Cc3ccco3)n2c1
InChIInChI=1S/C19H15ClN4O2/c20-16-6-2-1-4-13(16)11-21-19(25)14-7-8-17-22-23-18(24(17)12-14)10-15-5-3-9-26-15/h1-9,12H,10-11H2,(H,21,25)
InChIKeyLIXONWBVUYWOGL-UHFFFAOYSA-N
XLogP3.50
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

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Related Compounds

methyl 3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117140392
N-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylamino)acetamide
CID 54818991
3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138682
N-[(2-chlorophenyl)methyl]-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 3883772
3-[6-[(2-chlorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 20956981
3-[(4-chlorophenyl)methyl]-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134799949
3-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139617
8-chloro-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117147341
3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834815
N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide
CID 109018586
3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62389506
1-[(2-chlorophenyl)methyl]-6-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 18128601

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134798995) is N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCc1ccccc1Cl)c1ccc2nnc(Cc3ccco3)n2c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is LIXONWBVUYWOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c20-16-6-2-1-4-13(16)11-21-19(25)14-7-8-17-22-23-18(24(17)12-14)10-15-5-3-9-26-15/h1-9,12H,10-11H2,(H,21,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 366.81 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134798995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).