N-[(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)methyl]hexanamide

C20H26N2O3 — CID 167438212

IUPACN-[(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)methyl]hexanamide
SMILESCCCCCC(=O)NCc1cc(=O)c(OCc2ccccc2)cn1C
InChIInChI=1S/C20H26N2O3/c1-3-4-6-11-20(24)21-13-17-12-18(23)19(14-22(17)2)25-15-16-9-7-5-8-10-16/h5,7-10,12,14H,3-4,6,11,13,15H2,1-2H3,(H,21,24)
InChIKeyJLNDRKDLVAINHT-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.16
Rot. Bonds9

About N-[(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)methyl]hexanamide

N-[(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)methyl]hexanamide (PubChem CID 167438212) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)methyl]hexanamide.

Molecular Properties

Compound NameN-[(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)methyl]hexanamide
PubChem CID167438212
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)methyl]hexanamide
SMILESCCCCCC(=O)NCc1cc(=O)c(OCc2ccccc2)cn1C
InChIInChI=1S/C20H26N2O3/c1-3-4-6-11-20(24)21-13-17-12-18(23)19(14-22(17)2)25-15-16-9-7-5-8-10-16/h5,7-10,12,14H,3-4,6,11,13,15H2,1-2H3,(H,21,24)
InChIKeyJLNDRKDLVAINHT-UHFFFAOYSA-N
XLogP3.16
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one
CID 11172595
N-(4-butylphenyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 42440870
N-(3-methoxypropyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 52902398
N-benzylundecanamide
CID 5078198
N-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 42440806
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
N-(2-methoxyphenyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 51054762
N-[(3-hydroxyphenyl)methyl]hexanamide
CID 61017300
N-(2-phenylmethoxyethyl)octadecanamide
CID 3875168
N-phenylmethoxyhexanamide
CID 60717350
N'-benzylhexadecanehydrazide
CID 154391297

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)methyl]hexanamide?
The IUPAC name of N-[(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)methyl]hexanamide (CID 167438212) is N-[(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)methyl]hexanamide.
What is the SMILES notation for N-[(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)methyl]hexanamide?
The canonical SMILES for N-[(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)methyl]hexanamide is CCCCCC(=O)NCc1cc(=O)c(OCc2ccccc2)cn1C.
What is the InChIKey of N-[(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)methyl]hexanamide?
The InChIKey is JLNDRKDLVAINHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-4-6-11-20(24)21-13-17-12-18(23)19(14-22(17)2)25-15-16-9-7-5-8-10-16/h5,7-10,12,14H,3-4,6,11,13,15H2,1-2H3,(H,21,24).
What are the key properties of N-[(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)methyl]hexanamide?
N-[(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)methyl]hexanamide has a molecular weight of 342.44 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-4-oxo-5-phenylmethoxy-2-pyridinyl)methyl]hexanamide is sourced from PubChem (CID 167438212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).