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

C22H22N2O3 — CID 42440815

IUPAC1-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-phenylmethoxypyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(=O)c(OCc3ccccc3)cn2C)cc1
InChIInChI=1S/C22H22N2O3/c1-16-8-10-17(11-9-16)13-23-22(26)19-12-20(25)21(14-24(19)2)27-15-18-6-4-3-5-7-18/h3-12,14H,13,15H2,1-2H3,(H,23,26)
InChIKeyDNGJZXGNEGCVOG-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.20
Rot. Bonds6

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

1-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-phenylmethoxypyridine-2-carboxamide (PubChem CID 42440815) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-phenylmethoxypyridine-2-carboxamide
PubChem CID42440815
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name1-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-phenylmethoxypyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(=O)c(OCc3ccccc3)cn2C)cc1
InChIInChI=1S/C22H22N2O3/c1-16-8-10-17(11-9-16)13-23-22(26)19-12-20(25)21(14-24(19)2)27-15-18-6-4-3-5-7-18/h3-12,14H,13,15H2,1-2H3,(H,23,26)
InChIKeyDNGJZXGNEGCVOG-UHFFFAOYSA-N
XLogP3.20
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-(benzyloxy)-2-methyl-4(1H)-pyridinone
CID 660782
4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)phenethyl)pyridin-2(1H)-one
CID 44469273
{2-Oxo-6-p-tolyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-carbamic acid benzyl ester
CID 10370141
1-[2-[4-[(Dimethylamino)methyl]phenyl]ethyl]-4-phenylmethoxypyridin-2-one
CID 122184832
1-[4-(Benzylamino)butyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 162666832
AChE/BChE-IN-8
CID 162671445
3-(benzyloxy)-1-(4-fluorobenzyl)-2-methyl-4(1H)-pyridinone
CID 3623031
3-(benzyloxy)-2-methyl-1-(4-methylbenzyl)-4(1H)-pyridinone
CID 3818708
N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 164613614
5-(benzyloxy)-1-methyl-4-oxo-N-phenyl-1,4-dihydropyridine-2-carboxamide
CID 6480785
2-(5-(benzyloxy)-2-methyl-4-oxopyridin-1(4H)-yl)-N-(2-(trifluoromethyl)phenyl)acetamide
CID 16852591
N-(2-chlorobenzyl)-2-(5-((2-fluorobenzyl)oxy)-2-methyl-4-oxopyridin-1(4H)-yl)acetamide
CID 16852774

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of 1-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-phenylmethoxypyridine-2-carboxamide (CID 42440815) is 1-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for 1-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-phenylmethoxypyridine-2-carboxamide is Cc1ccc(CNC(=O)c2cc(=O)c(OCc3ccccc3)cn2C)cc1.
What is the InChIKey of 1-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The InChIKey is DNGJZXGNEGCVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-16-8-10-17(11-9-16)13-23-22(26)19-12-20(25)21(14-24(19)2)27-15-18-6-4-3-5-7-18/h3-12,14H,13,15H2,1-2H3,(H,23,26).
What are the key properties of 1-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
1-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-phenylmethoxypyridine-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 42440815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).