N-butan-2-yl-3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

C17H17ClN4O — CID 53196955

IUPACN-butan-2-yl-3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCCC(C)NC(=O)c1ccn2c(-c3ccccc3Cl)nnc2c1
InChIInChI=1S/C17H17ClN4O/c1-3-11(2)19-17(23)12-8-9-22-15(10-12)20-21-16(22)13-6-4-5-7-14(13)18/h4-11H,3H2,1-2H3,(H,19,23)
InChIKeyVQFVZNURJMQOLA-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.58
Rot. Bonds4

About N-butan-2-yl-3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

N-butan-2-yl-3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (PubChem CID 53196955) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is N-butan-2-yl-3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
PubChem CID53196955
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC NameN-butan-2-yl-3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCCC(C)NC(=O)c1ccn2c(-c3ccccc3Cl)nnc2c1
InChIInChI=1S/C17H17ClN4O/c1-3-11(2)19-17(23)12-8-9-22-15(10-12)20-21-16(22)13-6-4-5-7-14(13)18/h4-11H,3H2,1-2H3,(H,19,23)
InChIKeyVQFVZNURJMQOLA-UHFFFAOYSA-N
XLogP3.58
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-butan-2-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 95112957
3-(2-chlorophenyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 53196971
3-(2-bromophenyl)-N-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 53197060
3-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 95112953
N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 93009055
3-(2-bromophenyl)-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 53197091
N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 7634924
N-butan-2-yl-1-(2-chlorophenyl)isoquinoline-3-carboxamide
CID 10947695
N-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 45217078
N-butan-2-yl-2-tert-butyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079790
N-butan-2-yl-3-[[[5-(2-chlorophenyl)furan-2-yl]methylamino]methyl]benzamide
CID 78881908
N-(3-chloro-2-methylphenyl)-3-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 53197008

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The IUPAC name of N-butan-2-yl-3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (CID 53196955) is N-butan-2-yl-3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The canonical SMILES for N-butan-2-yl-3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is CCC(C)NC(=O)c1ccn2c(-c3ccccc3Cl)nnc2c1.
What is the InChIKey of N-butan-2-yl-3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The InChIKey is VQFVZNURJMQOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-3-11(2)19-17(23)12-8-9-22-15(10-12)20-21-16(22)13-6-4-5-7-14(13)18/h4-11H,3H2,1-2H3,(H,19,23).
What are the key properties of N-butan-2-yl-3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
N-butan-2-yl-3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is sourced from PubChem (CID 53196955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).