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

C16H14ClN5O2 — CID 56825593

IUPAC1-(2-chlorophenyl)-N-(4-methoxy-3-pyridinyl)-5-methyltriazole-4-carboxamide
SMILESCOc1ccncc1NC(=O)c1nnn(-c2ccccc2Cl)c1C
InChIInChI=1S/C16H14ClN5O2/c1-10-15(16(23)19-12-9-18-8-7-14(12)24-2)20-21-22(10)13-6-4-3-5-11(13)17/h3-9H,1-2H3,(H,19,23)
InChIKeyCQIJHWGCZWJNFL-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.89
Rot. Bonds4

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

1-(2-chlorophenyl)-N-(4-methoxy-3-pyridinyl)-5-methyltriazole-4-carboxamide (PubChem CID 56825593) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(4-methoxy-3-pyridinyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(4-methoxy-3-pyridinyl)-5-methyltriazole-4-carboxamide
PubChem CID56825593
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name1-(2-chlorophenyl)-N-(4-methoxy-3-pyridinyl)-5-methyltriazole-4-carboxamide
SMILESCOc1ccncc1NC(=O)c1nnn(-c2ccccc2Cl)c1C
InChIInChI=1S/C16H14ClN5O2/c1-10-15(16(23)19-12-9-18-8-7-14(12)24-2)20-21-22(10)13-6-4-3-5-11(13)17/h3-9H,1-2H3,(H,19,23)
InChIKeyCQIJHWGCZWJNFL-UHFFFAOYSA-N
XLogP2.89
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 2141172
N-(2-methoxyphenyl)-5-methyl-1-(2-phenylselanylphenyl)triazole-4-carboxamide
CID 102341170
ethyl 3-[[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16648450
1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
CID 16649250
N-(2-methoxyphenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 7245475
1-(2-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide
CID 6493785
1-(2-chlorophenyl)-5-methyl-N-[4-(triazol-2-yl)-2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 146075463
N-(3-chloro-4-methoxyphenyl)-3-[1-(2-chlorophenyl)-5-methyltriazol-4-yl]-2-cyano-3-oxopropanamide
CID 166193980
1-(2-methoxyphenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide
CID 6493801
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 112831271
N-(5-chloro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 7184617
1-(2-chloro-5-methylphenyl)-N-(2-ethylphenyl)-5-methyltriazole-4-carboxamide
CID 16649119

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(4-methoxy-3-pyridinyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(4-methoxy-3-pyridinyl)-5-methyltriazole-4-carboxamide (CID 56825593) is 1-(2-chlorophenyl)-N-(4-methoxy-3-pyridinyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(4-methoxy-3-pyridinyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(4-methoxy-3-pyridinyl)-5-methyltriazole-4-carboxamide is COc1ccncc1NC(=O)c1nnn(-c2ccccc2Cl)c1C.
What is the InChIKey of 1-(2-chlorophenyl)-N-(4-methoxy-3-pyridinyl)-5-methyltriazole-4-carboxamide?
The InChIKey is CQIJHWGCZWJNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-10-15(16(23)19-12-9-18-8-7-14(12)24-2)20-21-22(10)13-6-4-3-5-11(13)17/h3-9H,1-2H3,(H,19,23).
What are the key properties of 1-(2-chlorophenyl)-N-(4-methoxy-3-pyridinyl)-5-methyltriazole-4-carboxamide?
1-(2-chlorophenyl)-N-(4-methoxy-3-pyridinyl)-5-methyltriazole-4-carboxamide has a molecular weight of 343.77 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(4-methoxy-3-pyridinyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 56825593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).