3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide

C15H15ClN2O3 — CID 17395012

IUPAC3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(C)cn2)cc(Cl)c1OC
InChIInChI=1S/C15H15ClN2O3/c1-9-4-5-13(17-8-9)18-15(19)10-6-11(16)14(21-3)12(7-10)20-2/h4-8H,1-3H3,(H,17,18,19)
InChIKeyQYHSSTJAEBYVQZ-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.31
Rot. Bonds4

About 3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide

3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 17395012) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID17395012
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(C)cn2)cc(Cl)c1OC
InChIInChI=1S/C15H15ClN2O3/c1-9-4-5-13(17-8-9)18-15(19)10-6-11(16)14(21-3)12(7-10)20-2/h4-8H,1-3H3,(H,17,18,19)
InChIKeyQYHSSTJAEBYVQZ-UHFFFAOYSA-N
XLogP3.31
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
3,4-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide;hydrochloride
CID 163326261
3-chloro-N-(5-chloro-2-pyridinyl)-5-methoxy-4-propan-2-yloxybenzamide
CID 34135778
3,5-dichloro-N-(5-methyl-2-pyridinyl)benzamide
CID 5063171
3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 9475893
3-chloro-4,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 115629999
N-(5-bromo-2-pyridinyl)-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide
CID 60522037
3-cyano-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 143484074
3-chloro-4,5-dimethoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 43036788
3-amino-5-methoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 81090786
6-[[3-chloro-4-methoxy-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid
CID 67041574
3,5-dibromo-N-(5-methyl-2-pyridinyl)benzamide
CID 103907650

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide (CID 17395012) is 3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide is COc1cc(C(=O)Nc2ccc(C)cn2)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is QYHSSTJAEBYVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-9-4-5-13(17-8-9)18-15(19)10-6-11(16)14(21-3)12(7-10)20-2/h4-8H,1-3H3,(H,17,18,19).
What are the key properties of 3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide?
3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 306.75 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 17395012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).