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

C24H32FN3O2 — CID 172672898

IUPAC1-[1-(dimethylamino)propan-2-yl]-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccn(C(C)CN(C)C)c(=O)c1C(=O)NCC1(c2ccccc2F)CCCC1
InChIInChI=1S/C24H32FN3O2/c1-17-11-14-28(18(2)15-27(3)4)23(30)21(17)22(29)26-16-24(12-7-8-13-24)19-9-5-6-10-20(19)25/h5-6,9-11,14,18H,7-8,12-13,15-16H2,1-4H3,(H,26,29)
InChIKeyXNNKZXZUIGMANX-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.66
Rot. Bonds7

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

1-[1-(dimethylamino)propan-2-yl]-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-methyl-2-oxopyridine-3-carboxamide (PubChem CID 172672898) has the molecular formula C24H32FN3O2 and a molecular weight of 413.54 g/mol. Its IUPAC name is 1-[1-(dimethylamino)propan-2-yl]-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(dimethylamino)propan-2-yl]-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-methyl-2-oxopyridine-3-carboxamide
PubChem CID172672898
Molecular FormulaC24H32FN3O2
Molecular Weight413.54 g/mol
Exact Mass413.25
IUPAC Name1-[1-(dimethylamino)propan-2-yl]-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccn(C(C)CN(C)C)c(=O)c1C(=O)NCC1(c2ccccc2F)CCCC1
InChIInChI=1S/C24H32FN3O2/c1-17-11-14-28(18(2)15-27(3)4)23(30)21(17)22(29)26-16-24(12-7-8-13-24)19-9-5-6-10-20(19)25/h5-6,9-11,14,18H,7-8,12-13,15-16H2,1-4H3,(H,26,29)
InChIKeyXNNKZXZUIGMANX-UHFFFAOYSA-N
XLogP3.66
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(dimethylamino)propan-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172672420
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CID 56868307
2-fluoro-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]benzamide
CID 110444105
3-(3,6-diazabicyclo[3.1.1]heptane-3-carbonyl)-1-[1-(dimethylamino)propan-2-yl]-4-methylpyridin-2-one
CID 172655396
N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 91762618
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 110481986
3-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 122562278
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 110481000
1-[1-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 62595690
1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea
CID 56806394
2-amino-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 110480076
N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 135963071

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-methyl-2-oxopyridine-3-carboxamide (CID 172672898) is 1-[1-(dimethylamino)propan-2-yl]-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[1-(dimethylamino)propan-2-yl]-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[1-(dimethylamino)propan-2-yl]-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-methyl-2-oxopyridine-3-carboxamide is Cc1ccn(C(C)CN(C)C)c(=O)c1C(=O)NCC1(c2ccccc2F)CCCC1.
What is the InChIKey of 1-[1-(dimethylamino)propan-2-yl]-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is XNNKZXZUIGMANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O2/c1-17-11-14-28(18(2)15-27(3)4)23(30)21(17)22(29)26-16-24(12-7-8-13-24)19-9-5-6-10-20(19)25/h5-6,9-11,14,18H,7-8,12-13,15-16H2,1-4H3,(H,26,29).
What are the key properties of 1-[1-(dimethylamino)propan-2-yl]-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-methyl-2-oxopyridine-3-carboxamide?
1-[1-(dimethylamino)propan-2-yl]-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)propan-2-yl]-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172672898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).