2,6-dimethyl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridine-3-carboxamide

C18H19N5O — CID 56827245

IUPAC2,6-dimethyl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(Cn2cncn2)c2ccccc2)c(C)n1
InChIInChI=1S/C18H19N5O/c1-13-8-9-16(14(2)21-13)18(24)22-17(10-23-12-19-11-20-23)15-6-4-3-5-7-15/h3-9,11-12,17H,10H2,1-2H3,(H,22,24)
InChIKeyFJAQVMQTVVVQGF-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.46
Rot. Bonds5

About 2,6-dimethyl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridine-3-carboxamide

2,6-dimethyl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridine-3-carboxamide (PubChem CID 56827245) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2,6-dimethyl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridine-3-carboxamide
PubChem CID56827245
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2,6-dimethyl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(Cn2cncn2)c2ccccc2)c(C)n1
InChIInChI=1S/C18H19N5O/c1-13-8-9-16(14(2)21-13)18(24)22-17(10-23-12-19-11-20-23)15-6-4-3-5-7-15/h3-9,11-12,17H,10H2,1-2H3,(H,22,24)
InChIKeyFJAQVMQTVVVQGF-UHFFFAOYSA-N
XLogP2.46
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]carbamoyl]pyridine-2-carboxylic acid
CID 146128301
(2R)-2-phenyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide
CID 99855935
3-acetamido-4-methyl-N-[(1S)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide
CID 52514812
3-acetamido-4-methyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide
CID 52514811
1-(4-chlorophenyl)-2,5-dimethyl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyrrole-3-carboxamide
CID 56547157
(2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 62828688
5-methyl-4-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]thiophene-2-carboxamide
CID 51133786
1-(3-chloro-4-methylphenyl)-3-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]urea
CID 51135005
cis-(1S,2R)-2-(2-methylphenyl)-N-[(1S)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 98799294
cis-(1S,2R)-2-(2-methylphenyl)-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 97072754
N-(3-chloro-4-methylphenyl)-N'-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]oxamide
CID 97070868
2-cyclohexylidene-N-[(1S)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]acetamide
CID 95341586

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridine-3-carboxamide (CID 56827245) is 2,6-dimethyl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridine-3-carboxamide is Cc1ccc(C(=O)NC(Cn2cncn2)c2ccccc2)c(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is FJAQVMQTVVVQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-8-9-16(14(2)21-13)18(24)22-17(10-23-12-19-11-20-23)15-6-4-3-5-7-15/h3-9,11-12,17H,10H2,1-2H3,(H,22,24).
What are the key properties of 2,6-dimethyl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridine-3-carboxamide?
2,6-dimethyl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 56827245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).