1-(3-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide

C17H16ClN5O2 — CID 55871132

IUPAC1-(3-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide
SMILESCOc1ncccc1CNC(=O)c1nnn(-c2cccc(Cl)c2)c1C
InChIInChI=1S/C17H16ClN5O2/c1-11-15(21-22-23(11)14-7-3-6-13(18)9-14)16(24)20-10-12-5-4-8-19-17(12)25-2/h3-9H,10H2,1-2H3,(H,20,24)
InChIKeyPIPJPUNEKCQYLI-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.56
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide

1-(3-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide (PubChem CID 55871132) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide
PubChem CID55871132
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name1-(3-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide
SMILESCOc1ncccc1CNC(=O)c1nnn(-c2cccc(Cl)c2)c1C
InChIInChI=1S/C17H16ClN5O2/c1-11-15(21-22-23(11)14-7-3-6-13(18)9-14)16(24)20-10-12-5-4-8-19-17(12)25-2/h3-9H,10H2,1-2H3,(H,20,24)
InChIKeyPIPJPUNEKCQYLI-UHFFFAOYSA-N
XLogP2.56
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methyltriazole-4-carboxamide
CID 55872076
1-(3-methoxyphenyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]triazole-4-carboxamide
CID 55806463
1-(3-chloro-4-methylphenyl)-N-[(3-chlorophenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858118
1-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide
CID 46858045
1-(3-chlorophenyl)-N-(3-ethoxypropyl)-5-methyltriazole-4-carboxamide
CID 46858042
1-(3-chloro-4-methylphenyl)-N-[(2-chlorophenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858117
1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 2137572
1-(3-chlorophenyl)-N-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 6484735
3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 103907640
1-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55881177
5-methyl-1-(3-methylphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
CID 55857322
N-[2-(3-chlorophenyl)ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 55874855

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide (CID 55871132) is 1-(3-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide is COc1ncccc1CNC(=O)c1nnn(-c2cccc(Cl)c2)c1C.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide?
The InChIKey is PIPJPUNEKCQYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-11-15(21-22-23(11)14-7-3-6-13(18)9-14)16(24)20-10-12-5-4-8-19-17(12)25-2/h3-9H,10H2,1-2H3,(H,20,24).
What are the key properties of 1-(3-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide?
1-(3-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide has a molecular weight of 357.80 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 55871132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).