4-chloro-2-methoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide

C15H12ClN5O2 — CID 51095167

IUPAC4-chloro-2-methoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
SMILESCOc1cc(Cl)ccc1C(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C15H12ClN5O2/c1-23-13-6-10(16)2-4-12(13)15(22)20-11-3-5-14(18-7-11)21-9-17-8-19-21/h2-9H,1H3,(H,20,22)
InChIKeySHHSWKOAKCXARY-UHFFFAOYSA-N
MW329.75 g/mol
LogP2.58
Rot. Bonds4

About 4-chloro-2-methoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide

4-chloro-2-methoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide (PubChem CID 51095167) has the molecular formula C15H12ClN5O2 and a molecular weight of 329.75 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
PubChem CID51095167
Molecular FormulaC15H12ClN5O2
Molecular Weight329.75 g/mol
Exact Mass329.07
IUPAC Name4-chloro-2-methoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
SMILESCOc1cc(Cl)ccc1C(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C15H12ClN5O2/c1-23-13-6-10(16)2-4-12(13)15(22)20-11-3-5-14(18-7-11)21-9-17-8-19-21/h2-9H,1H3,(H,20,22)
InChIKeySHHSWKOAKCXARY-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

4-chloro-N-[6-(3-ethyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2-methoxybenzamide
CID 53187433
4-chloro-N-(4-iodophenyl)-2-methoxybenzamide
CID 47421842
5-chloro-4-iodo-2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55608636
cis-(1S,2R)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 95383104
cis-(1R,2S)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 95383107
4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 25344012
5-phenoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 154841045
N-(5-chloro-2-methoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 31700856
(2S)-2-(3,4-difluorophenoxy)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 94812811
4-chloro-N-[4-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 64794839
cis-(1S,2R)-2-(4-chlorophenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 96501804
4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 82880967

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 4-chloro-2-methoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide (CID 51095167) is 4-chloro-2-methoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-2-methoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-2-methoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide is COc1cc(Cl)ccc1C(=O)Nc1ccc(-n2cncn2)nc1.
What is the InChIKey of 4-chloro-2-methoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
The InChIKey is SHHSWKOAKCXARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2/c1-23-13-6-10(16)2-4-12(13)15(22)20-11-3-5-14(18-7-11)21-9-17-8-19-21/h2-9H,1H3,(H,20,22).
What are the key properties of 4-chloro-2-methoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
4-chloro-2-methoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide 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 4-chloro-2-methoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 51095167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).