N-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide

C21H19ClN2O3 — CID 42440806

IUPACN-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
SMILESCn1cc(OCc2ccccc2)c(=O)cc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C21H19ClN2O3/c1-24-13-20(27-14-15-7-3-2-4-8-15)19(25)11-18(24)21(26)23-12-16-9-5-6-10-17(16)22/h2-11,13H,12,14H2,1H3,(H,23,26)
InChIKeyLGLVYYAYVKFEFA-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.55
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide

N-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide (PubChem CID 42440806) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
PubChem CID42440806
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC NameN-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
SMILESCn1cc(OCc2ccccc2)c(=O)cc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C21H19ClN2O3/c1-24-13-20(27-14-15-7-3-2-4-8-15)19(25)11-18(24)21(26)23-12-16-9-5-6-10-17(16)22/h2-11,13H,12,14H2,1H3,(H,23,26)
InChIKeyLGLVYYAYVKFEFA-UHFFFAOYSA-N
XLogP3.55
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 42440575
5-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)-1-methyl-4-oxopyridine-2-carboxamide
CID 51052544
N-(3-methoxypropyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 52902398
N-(2-methoxyphenyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 51054762
5-[(4-chlorophenyl)methoxy]-1-methyl-4-oxo-N-pyridin-2-ylpyridine-2-carboxamide
CID 52899896
5-[(2-chlorophenyl)methoxy]-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyridine-2-carboxamide
CID 51052837
N-[(2-fluorophenyl)methyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide
CID 75489414
N-(4-butylphenyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 42440870
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 51054785
1-methyl-2-oxo-N-[(2-phenylmethoxyphenyl)methyl]pyridine-4-carboxamide
CID 75461382
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-5-phenylmethoxypyridin-4-one
CID 42440770
N-[(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)methyl]hexanamide
CID 167438212

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide (CID 42440806) is N-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide is Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The InChIKey is LGLVYYAYVKFEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c1-24-13-20(27-14-15-7-3-2-4-8-15)19(25)11-18(24)21(26)23-12-16-9-5-6-10-17(16)22/h2-11,13H,12,14H2,1H3,(H,23,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
N-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 42440806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).