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

C15H13ClN4O — CID 134795570

IUPAC3-(4-chlorophenyl)-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCN(C)C(=O)c1ccc2nnc(-c3ccc(Cl)cc3)n2c1
InChIInChI=1S/C15H13ClN4O/c1-19(2)15(21)11-5-8-13-17-18-14(20(13)9-11)10-3-6-12(16)7-4-10/h3-9H,1-2H3
InChIKeyMDSZFIZRIPFMEW-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.75
Rot. Bonds2

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

3-(4-chlorophenyl)-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134795570) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134795570
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name3-(4-chlorophenyl)-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCN(C)C(=O)c1ccc2nnc(-c3ccc(Cl)cc3)n2c1
InChIInChI=1S/C15H13ClN4O/c1-19(2)15(21)11-5-8-13-17-18-14(20(13)9-11)10-3-6-12(16)7-4-10/h3-9H,1-2H3
InChIKeyMDSZFIZRIPFMEW-UHFFFAOYSA-N
XLogP2.75
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134788032
3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 82878738
3-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 63211830
N-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134799823
3-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62388963
3-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134798531
3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
CID 117158435
2-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]acetic acid
CID 119135797
4-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
CID 117158556
3-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 53196890
1-chloro-3-(4-chlorophenyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117251414
[3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
CID 134795363

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134795570) is 3-(4-chlorophenyl)-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CN(C)C(=O)c1ccc2nnc(-c3ccc(Cl)cc3)n2c1.
What is the InChIKey of 3-(4-chlorophenyl)-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is MDSZFIZRIPFMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-19(2)15(21)11-5-8-13-17-18-14(20(13)9-11)10-3-6-12(16)7-4-10/h3-9H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-(4-chlorophenyl)-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134795570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).