N-[(4-chloro-2-methoxyphenyl)methyl]-2-ethoxypyridine-4-carboxamide

C16H17ClN2O3 — CID 86967797

IUPACN-[(4-chloro-2-methoxyphenyl)methyl]-2-ethoxypyridine-4-carboxamide
SMILESCCOc1cc(C(=O)NCc2ccc(Cl)cc2OC)ccn1
InChIInChI=1S/C16H17ClN2O3/c1-3-22-15-8-11(6-7-18-15)16(20)19-10-12-4-5-13(17)9-14(12)21-2/h4-9H,3,10H2,1-2H3,(H,19,20)
InChIKeyCVHIJAAJXDACCU-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.07
Rot. Bonds6

About N-[(4-chloro-2-methoxyphenyl)methyl]-2-ethoxypyridine-4-carboxamide

N-[(4-chloro-2-methoxyphenyl)methyl]-2-ethoxypyridine-4-carboxamide (PubChem CID 86967797) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is N-[(4-chloro-2-methoxyphenyl)methyl]-2-ethoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-2-methoxyphenyl)methyl]-2-ethoxypyridine-4-carboxamide
PubChem CID86967797
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC NameN-[(4-chloro-2-methoxyphenyl)methyl]-2-ethoxypyridine-4-carboxamide
SMILESCCOc1cc(C(=O)NCc2ccc(Cl)cc2OC)ccn1
InChIInChI=1S/C16H17ClN2O3/c1-3-22-15-8-11(6-7-18-15)16(20)19-10-12-4-5-13(17)9-14(12)21-2/h4-9H,3,10H2,1-2H3,(H,19,20)
InChIKeyCVHIJAAJXDACCU-UHFFFAOYSA-N
XLogP3.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-chlorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086818
2-ethoxy-N-[(4-propoxyphenyl)methyl]pyridine-4-carboxamide
CID 86967623
N-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109170859
6-ethoxy-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 46488664
N-[(2,4-dichlorophenyl)methyl]-2-(3-methylsulfanylphenoxy)pyridine-4-carboxamide
CID 143531022
N-[(4-chloro-2-ethoxyphenyl)methyl]-2-pyridin-3-ylacetamide
CID 75387696
3-[(4-chloro-2-methoxyphenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 122065539
N-(cyclohexylmethyl)-2-ethoxypyridine-4-carboxamide
CID 59355729
3-[(4-chloro-2-ethoxyphenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 122066220
2-N-(3,4-difluorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086829
N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 51158727
N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
CID 60565957

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-methoxyphenyl)methyl]-2-ethoxypyridine-4-carboxamide?
The IUPAC name of N-[(4-chloro-2-methoxyphenyl)methyl]-2-ethoxypyridine-4-carboxamide (CID 86967797) is N-[(4-chloro-2-methoxyphenyl)methyl]-2-ethoxypyridine-4-carboxamide.
What is the SMILES notation for N-[(4-chloro-2-methoxyphenyl)methyl]-2-ethoxypyridine-4-carboxamide?
The canonical SMILES for N-[(4-chloro-2-methoxyphenyl)methyl]-2-ethoxypyridine-4-carboxamide is CCOc1cc(C(=O)NCc2ccc(Cl)cc2OC)ccn1.
What is the InChIKey of N-[(4-chloro-2-methoxyphenyl)methyl]-2-ethoxypyridine-4-carboxamide?
The InChIKey is CVHIJAAJXDACCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-3-22-15-8-11(6-7-18-15)16(20)19-10-12-4-5-13(17)9-14(12)21-2/h4-9H,3,10H2,1-2H3,(H,19,20).
What are the key properties of N-[(4-chloro-2-methoxyphenyl)methyl]-2-ethoxypyridine-4-carboxamide?
N-[(4-chloro-2-methoxyphenyl)methyl]-2-ethoxypyridine-4-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-methoxyphenyl)methyl]-2-ethoxypyridine-4-carboxamide is sourced from PubChem (CID 86967797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).