5-[(4-chlorophenyl)methoxy]-1-methyl-4-oxo-N-pyridin-2-ylpyridine-2-carboxamide

C19H16ClN3O3 — CID 52899896

IUPAC5-[(4-chlorophenyl)methoxy]-1-methyl-4-oxo-N-pyridin-2-ylpyridine-2-carboxamide
SMILESCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1C(=O)Nc1ccccn1
InChIInChI=1S/C19H16ClN3O3/c1-23-11-17(26-12-13-5-7-14(20)8-6-13)16(24)10-15(23)19(25)22-18-4-2-3-9-21-18/h2-11H,12H2,1H3,(H,21,22,25)
InChIKeyKHYZBHYXMYJHLF-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.27
Rot. Bonds5

About 5-[(4-chlorophenyl)methoxy]-1-methyl-4-oxo-N-pyridin-2-ylpyridine-2-carboxamide

5-[(4-chlorophenyl)methoxy]-1-methyl-4-oxo-N-pyridin-2-ylpyridine-2-carboxamide (PubChem CID 52899896) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methoxy]-1-methyl-4-oxo-N-pyridin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methoxy]-1-methyl-4-oxo-N-pyridin-2-ylpyridine-2-carboxamide
PubChem CID52899896
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name5-[(4-chlorophenyl)methoxy]-1-methyl-4-oxo-N-pyridin-2-ylpyridine-2-carboxamide
SMILESCn1cc(OCc2ccc(Cl)cc2)c(=O)cc1C(=O)Nc1ccccn1
InChIInChI=1S/C19H16ClN3O3/c1-23-11-17(26-12-13-5-7-14(20)8-6-13)16(24)10-15(23)19(25)22-18-4-2-3-9-21-18/h2-11H,12H2,1H3,(H,21,22,25)
InChIKeyKHYZBHYXMYJHLF-UHFFFAOYSA-N
XLogP3.27
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chlorophenyl)methoxy]-3-methoxy-N-pyridin-2-ylbenzamide
CID 43016736
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 51054785
N-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 42440806
N-(2-methoxyphenyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 51054762
N-(4-butylphenyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 42440870
5-[(4-fluorophenyl)methoxy]-N,1-dimethyl-4-oxopyridine-2-carboxamide
CID 42441092
5-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)-1-methyl-4-oxopyridine-2-carboxamide
CID 51052544
4-[(4-chloro-2-methylphenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 19486726
5-[(3-methoxyphenyl)methoxy]-1-methyl-4-oxo-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 42442156
N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide
CID 30858986
4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 19503359
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-5-phenylmethoxypyridin-4-one
CID 42440770

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methoxy]-1-methyl-4-oxo-N-pyridin-2-ylpyridine-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methoxy]-1-methyl-4-oxo-N-pyridin-2-ylpyridine-2-carboxamide (CID 52899896) is 5-[(4-chlorophenyl)methoxy]-1-methyl-4-oxo-N-pyridin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methoxy]-1-methyl-4-oxo-N-pyridin-2-ylpyridine-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methoxy]-1-methyl-4-oxo-N-pyridin-2-ylpyridine-2-carboxamide is Cn1cc(OCc2ccc(Cl)cc2)c(=O)cc1C(=O)Nc1ccccn1.
What is the InChIKey of 5-[(4-chlorophenyl)methoxy]-1-methyl-4-oxo-N-pyridin-2-ylpyridine-2-carboxamide?
The InChIKey is KHYZBHYXMYJHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-23-11-17(26-12-13-5-7-14(20)8-6-13)16(24)10-15(23)19(25)22-18-4-2-3-9-21-18/h2-11H,12H2,1H3,(H,21,22,25).
What are the key properties of 5-[(4-chlorophenyl)methoxy]-1-methyl-4-oxo-N-pyridin-2-ylpyridine-2-carboxamide?
5-[(4-chlorophenyl)methoxy]-1-methyl-4-oxo-N-pyridin-2-ylpyridine-2-carboxamide has a molecular weight of 369.81 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methoxy]-1-methyl-4-oxo-N-pyridin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 52899896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).