N-(3-methoxypropyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide

C18H22N2O4 — CID 52902398

IUPACN-(3-methoxypropyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
SMILESCOCCCNC(=O)c1cc(=O)c(OCc2ccccc2)cn1C
InChIInChI=1S/C18H22N2O4/c1-20-12-17(24-13-14-7-4-3-5-8-14)16(21)11-15(20)18(22)19-9-6-10-23-2/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,19,22)
InChIKeyDDJZDCOZSKDYGU-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.73
Rot. Bonds8

About N-(3-methoxypropyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide

N-(3-methoxypropyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide (PubChem CID 52902398) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
PubChem CID52902398
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-(3-methoxypropyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
SMILESCOCCCNC(=O)c1cc(=O)c(OCc2ccccc2)cn1C
InChIInChI=1S/C18H22N2O4/c1-20-12-17(24-13-14-7-4-3-5-8-14)16(21)11-15(20)18(22)19-9-6-10-23-2/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,19,22)
InChIKeyDDJZDCOZSKDYGU-UHFFFAOYSA-N
XLogP1.73
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-chlorophenyl)methoxy]-N-(3-methoxypropyl)-1-methyl-4-oxopyridine-2-carboxamide
CID 51052544
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-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 42440575
N-(4-butylphenyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 42440870
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-5-phenylmethoxypyridin-4-one
CID 42440770
5-[(4-chlorophenyl)methoxy]-1-methyl-4-oxo-N-pyridin-2-ylpyridine-2-carboxamide
CID 52899896
5-[(4-fluorophenyl)methoxy]-N,1-dimethyl-4-oxopyridine-2-carboxamide
CID 42441092
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 51054785
N-[(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)methyl]hexanamide
CID 167438212
4-bromo-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 60698861
4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 62379112

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide (CID 52902398) is N-(3-methoxypropyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide is COCCCNC(=O)c1cc(=O)c(OCc2ccccc2)cn1C.
What is the InChIKey of N-(3-methoxypropyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The InChIKey is DDJZDCOZSKDYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-20-12-17(24-13-14-7-4-3-5-8-14)16(21)11-15(20)18(22)19-9-6-10-23-2/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,19,22).
What are the key properties of N-(3-methoxypropyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
N-(3-methoxypropyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 52902398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).