N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide

C15H15ClN2O4 — CID 673854

IUPACN-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Cl)cn2)cc(OC)c1OC
InChIInChI=1S/C15H15ClN2O4/c1-20-11-6-9(7-12(21-2)14(11)22-3)15(19)18-13-5-4-10(16)8-17-13/h4-8H,1-3H3,(H,17,18,19)
InChIKeyJREKIMVYSIKXNE-UHFFFAOYSA-N
MW322.75 g/mol
LogP3.01
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide

N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide (PubChem CID 673854) has the molecular formula C15H15ClN2O4 and a molecular weight of 322.75 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
PubChem CID673854
Molecular FormulaC15H15ClN2O4
Molecular Weight322.75 g/mol
Exact Mass322.07
IUPAC NameN-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Cl)cn2)cc(OC)c1OC
InChIInChI=1S/C15H15ClN2O4/c1-20-11-6-9(7-12(21-2)14(11)22-3)15(19)18-13-5-4-10(16)8-17-13/h4-8H,1-3H3,(H,17,18,19)
InChIKeyJREKIMVYSIKXNE-UHFFFAOYSA-N
XLogP3.01
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(5-chloro-2-pyridinyl)-5-methoxy-4-propan-2-yloxybenzamide
CID 34135778
N-(5-chloro-2-pyridinyl)-3-methoxy-4-methylbenzamide
CID 47122719
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 17395012
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 2572190
(E)-N-(5-chloro-2-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 807662
N-(5-chloro-2-pyridinyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 39753706
N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
CID 1449581
N-(5-bromo-4-methyl-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 46307937
N-(5-chloro-2-pyridinyl)-2-hydroxy-3-methoxybenzamide
CID 28831584
N-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide
CID 835945
3-chloro-N-(5-chloro-2-pyridinyl)-5-ethoxy-4-propoxybenzamide
CID 34135714

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide (CID 673854) is N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(Cl)cn2)cc(OC)c1OC.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide?
The InChIKey is JREKIMVYSIKXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4/c1-20-11-6-9(7-12(21-2)14(11)22-3)15(19)18-13-5-4-10(16)8-17-13/h4-8H,1-3H3,(H,17,18,19).
What are the key properties of N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide?
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide has a molecular weight of 322.75 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 673854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).