N-(5-chloro-2-methoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

C15H12ClN5O2 — CID 31700856

IUPACN-(5-chloro-2-methoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cccnc1-n1cncn1
InChIInChI=1S/C15H12ClN5O2/c1-23-13-5-4-10(16)7-12(13)20-15(22)11-3-2-6-18-14(11)21-9-17-8-19-21/h2-9H,1H3,(H,20,22)
InChIKeyREIJTIAZMWQHLV-UHFFFAOYSA-N
MW329.75 g/mol
LogP2.58
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

N-(5-chloro-2-methoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 31700856) has the molecular formula C15H12ClN5O2 and a molecular weight of 329.75 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
PubChem CID31700856
Molecular FormulaC15H12ClN5O2
Molecular Weight329.75 g/mol
Exact Mass329.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cccnc1-n1cncn1
InChIInChI=1S/C15H12ClN5O2/c1-23-13-5-4-10(16)7-12(13)20-15(22)11-3-2-6-18-14(11)21-9-17-8-19-21/h2-9H,1H3,(H,20,22)
InChIKeyREIJTIAZMWQHLV-UHFFFAOYSA-N
XLogP2.58
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 755928
2-chloro-5-methylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 47084179
2-(2,4-dichlorophenoxy)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
CID 47083831
2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 1174564
5-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide
CID 51098015
N-(5-chloro-2-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81234108
3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097288
N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 39964617
4-chloro-2-methoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 51095167
6-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridazine-3-carboxamide
CID 61217247
N-(5-chloro-2-methoxyphenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81237296
(3S)-N-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide
CID 8722030

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 31700856) is N-(5-chloro-2-methoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cccnc1-n1cncn1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The InChIKey is REIJTIAZMWQHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2/c1-23-13-5-4-10(16)7-12(13)20-15(22)11-3-2-6-18-14(11)21-9-17-8-19-21/h2-9H,1H3,(H,20,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 329.75 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 31700856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).