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

C17H17N5O — CID 136522591

IUPAC4-ethyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
SMILESCCc1ccnc(C(=O)Nc2cccc(-c3ncn(C)n3)c2)c1
InChIInChI=1S/C17H17N5O/c1-3-12-7-8-18-15(9-12)17(23)20-14-6-4-5-13(10-14)16-19-11-22(2)21-16/h4-11H,3H2,1-2H3,(H,20,23)
InChIKeyVJELFLVRHKARFG-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.69
Rot. Bonds4

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

4-ethyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide (PubChem CID 136522591) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-ethyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
PubChem CID136522591
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name4-ethyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
SMILESCCc1ccnc(C(=O)Nc2cccc(-c3ncn(C)n3)c2)c1
InChIInChI=1S/C17H17N5O/c1-3-12-7-8-18-15(9-12)17(23)20-14-6-4-5-13(10-14)16-19-11-22(2)21-16/h4-11H,3H2,1-2H3,(H,20,23)
InChIKeyVJELFLVRHKARFG-UHFFFAOYSA-N
XLogP2.69
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,2-difluoroethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide
CID 154779558
1-methyl-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(1,3-thiazol-4-ylmethyl)urea
CID 86797483
2-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091133
cis-(1S,3R)-2,2-dimethyl-3-[[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122066619
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazine-2-carboxamide
CID 75521085
1-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 86797527
4-chloro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 43070910
N-(3-ethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 27285951
N-(3-ethylphenyl)-2-methyl-1,2,4-triazole-3-carboxamide
CID 139481787
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
1-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
CID 136530337
N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 122138815

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-ethyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide (CID 136522591) is 4-ethyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide is CCc1ccnc(C(=O)Nc2cccc(-c3ncn(C)n3)c2)c1.
What is the InChIKey of 4-ethyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is VJELFLVRHKARFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-3-12-7-8-18-15(9-12)17(23)20-14-6-4-5-13(10-14)16-19-11-22(2)21-16/h4-11H,3H2,1-2H3,(H,20,23).
What are the key properties of 4-ethyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
4-ethyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 136522591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).