2-(4-chlorophenyl)-6-methyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-4-carboxamide

C19H19ClN6O — CID 136517247

IUPAC2-(4-chlorophenyl)-6-methyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCc3nc(C)nn3C2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H19ClN6O/c1-11-9-16(24-18(21-11)13-3-5-14(20)6-4-13)19(27)23-15-7-8-17-22-12(2)25-26(17)10-15/h3-6,9,15H,7-8,10H2,1-2H3,(H,23,27)
InChIKeyKEZJFIKOGQAAER-UHFFFAOYSA-N
MW382.86 g/mol
LogP2.75
Rot. Bonds3

About 2-(4-chlorophenyl)-6-methyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-4-carboxamide

2-(4-chlorophenyl)-6-methyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-4-carboxamide (PubChem CID 136517247) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-methyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-methyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-4-carboxamide
PubChem CID136517247
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC Name2-(4-chlorophenyl)-6-methyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCc3nc(C)nn3C2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H19ClN6O/c1-11-9-16(24-18(21-11)13-3-5-14(20)6-4-13)19(27)23-15-7-8-17-22-12(2)25-26(17)10-15/h3-6,9,15H,7-8,10H2,1-2H3,(H,23,27)
InChIKeyKEZJFIKOGQAAER-UHFFFAOYSA-N
XLogP2.75
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide;hydrochloride
CID 119770741
6-chloro-N-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 99795052
N-(4-chlorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propanamide
CID 127312072
3-[methyl(propan-2-yl)sulfamoyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
CID 126768313
4-[(2-methylbenzoyl)amino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxamide
CID 154797764
(6R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95758135
1-[4-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 154857430
2-(5-chloro-2-methylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide
CID 109332958
4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxamide
CID 166185767
6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-methylpyrimidine-4-carboxamide
CID 109360992
N-[2-[[ethylamino-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111995202
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
CID 111995222

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-methyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-6-methyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-4-carboxamide (CID 136517247) is 2-(4-chlorophenyl)-6-methyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-6-methyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-6-methyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NC2CCc3nc(C)nn3C2)nc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-6-methyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-4-carboxamide?
The InChIKey is KEZJFIKOGQAAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O/c1-11-9-16(24-18(21-11)13-3-5-14(20)6-4-13)19(27)23-15-7-8-17-22-12(2)25-26(17)10-15/h3-6,9,15H,7-8,10H2,1-2H3,(H,23,27).
What are the key properties of 2-(4-chlorophenyl)-6-methyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-4-carboxamide?
2-(4-chlorophenyl)-6-methyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-4-carboxamide has a molecular weight of 382.86 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-methyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 136517247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).