1-[1-(dimethylamino)propan-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-2-oxopyridine-3-carboxamide

C20H26FN3O3 — CID 172672420

IUPAC1-[1-(dimethylamino)propan-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(C)ccn(C(C)CN(C)C)c2=O)cc1F
InChIInChI=1S/C20H26FN3O3/c1-13-8-9-24(14(2)12-23(3)4)20(26)18(13)19(25)22-11-15-6-7-17(27-5)16(21)10-15/h6-10,14H,11-12H2,1-5H3,(H,22,25)
InChIKeyPIAZFMDEBSYMNL-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.36
Rot. Bonds7

About 1-[1-(dimethylamino)propan-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-2-oxopyridine-3-carboxamide

1-[1-(dimethylamino)propan-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-2-oxopyridine-3-carboxamide (PubChem CID 172672420) has the molecular formula C20H26FN3O3 and a molecular weight of 375.44 g/mol. Its IUPAC name is 1-[1-(dimethylamino)propan-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(dimethylamino)propan-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
PubChem CID172672420
Molecular FormulaC20H26FN3O3
Molecular Weight375.44 g/mol
Exact Mass375.20
IUPAC Name1-[1-(dimethylamino)propan-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(C)ccn(C(C)CN(C)C)c2=O)cc1F
InChIInChI=1S/C20H26FN3O3/c1-13-8-9-24(14(2)12-23(3)4)20(26)18(13)19(25)22-11-15-6-7-17(27-5)16(21)10-15/h6-10,14H,11-12H2,1-5H3,(H,22,25)
InChIKeyPIAZFMDEBSYMNL-UHFFFAOYSA-N
XLogP2.36
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(dimethylamino)propan-2-yl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172667783
1-[1-(dimethylamino)propan-2-yl]-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172662811
methyl 1-[[1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carbonyl]amino]cyclopropane-1-carboxylate
CID 172665005
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779966
2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 110779959
N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172658972
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-propan-2-yloxybenzamide
CID 86297319
N-[(4-chloro-3-fluorophenyl)methyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172655796
1-[2-(dimethylamino)-1-phenylethyl]-3-[(3-fluoro-4-methoxyphenyl)methyl]urea
CID 78880262
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
[(2R)-2-[5-[[3-fluoro-4-(trifluoromethyl)phenyl]methylcarbamoyl]-6-methyl-1-oxoisoquinolin-2-yl]propyl] acetate
CID 59845728
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-6-methylbenzamide
CID 131891690

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-2-oxopyridine-3-carboxamide (CID 172672420) is 1-[1-(dimethylamino)propan-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[1-(dimethylamino)propan-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[1-(dimethylamino)propan-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-2-oxopyridine-3-carboxamide is COc1ccc(CNC(=O)c2c(C)ccn(C(C)CN(C)C)c2=O)cc1F.
What is the InChIKey of 1-[1-(dimethylamino)propan-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is PIAZFMDEBSYMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3/c1-13-8-9-24(14(2)12-23(3)4)20(26)18(13)19(25)22-11-15-6-7-17(27-5)16(21)10-15/h6-10,14H,11-12H2,1-5H3,(H,22,25).
What are the key properties of 1-[1-(dimethylamino)propan-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-2-oxopyridine-3-carboxamide?
1-[1-(dimethylamino)propan-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 375.44 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)propan-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172672420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).