5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

C18H14ClN5O2 — CID 23552566

IUPAC5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESNc1cc(C(=O)NCc2ccc(Cl)cc2)cc2nc(-c3ccoc3)nn12
InChIInChI=1S/C18H14ClN5O2/c19-14-3-1-11(2-4-14)9-21-18(25)13-7-15(20)24-16(8-13)22-17(23-24)12-5-6-26-10-12/h1-8,10H,9,20H2,(H,21,25)
InChIKeyKNDZAEKWIXCNDO-UHFFFAOYSA-N
MW367.80 g/mol
LogP3.15
Rot. Bonds4

About 5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 23552566) has the molecular formula C18H14ClN5O2 and a molecular weight of 367.80 g/mol. Its IUPAC name is 5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
PubChem CID23552566
Molecular FormulaC18H14ClN5O2
Molecular Weight367.80 g/mol
Exact Mass367.08
IUPAC Name5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESNc1cc(C(=O)NCc2ccc(Cl)cc2)cc2nc(-c3ccoc3)nn12
InChIInChI=1S/C18H14ClN5O2/c19-14-3-1-11(2-4-14)9-21-18(25)13-7-15(20)24-16(8-13)22-17(23-24)12-5-6-26-10-12/h1-8,10H,9,20H2,(H,21,25)
InChIKeyKNDZAEKWIXCNDO-UHFFFAOYSA-N
XLogP3.15
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide with MolForge

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Related Compounds

4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
2-chloro-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
CID 119103308
2-chloro-N-(furan-3-ylmethyl)-6-(methylamino)pyridine-4-carboxamide
CID 113234494
N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 18132522
N-[(4-aminophenyl)methyl]-6-(furan-3-yl)-1-benzofuran-2-carboxamide
CID 172553836
methyl 4-[[4-(furan-3-yl)phenyl]methylcarbamoyl]benzoate
CID 119103319
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
N-[(4-chlorophenyl)methyl]-3,5-difluoro-4-(methylamino)benzamide
CID 63183628
3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64523629
3-cyano-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
CID 119103306
N-[[4-(2-aminoethyl)phenyl]methyl]-3-bromo-5-chlorobenzamide
CID 107939840
N-[[4-(furan-3-yl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 119103341

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of 5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (CID 23552566) is 5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for 5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for 5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is Nc1cc(C(=O)NCc2ccc(Cl)cc2)cc2nc(-c3ccoc3)nn12.
What is the InChIKey of 5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is KNDZAEKWIXCNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2/c19-14-3-1-11(2-4-14)9-21-18(25)13-7-15(20)24-16(8-13)22-17(23-24)12-5-6-26-10-12/h1-8,10H,9,20H2,(H,21,25).
What are the key properties of 5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 367.80 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 23552566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).