1-[1-(dimethylamino)propan-2-yl]-N-(8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)-4-methyl-2-oxopyridine-3-carboxamide

C20H23FN4O4 — CID 172660730

IUPAC1-[1-(dimethylamino)propan-2-yl]-N-(8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)-4-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccn(C(C)CN(C)C)c(=O)c1C(=O)Nc1cc(F)c2c(c1)NC(=O)CO2
InChIInChI=1S/C20H23FN4O4/c1-11-5-6-25(12(2)9-24(3)4)20(28)17(11)19(27)22-13-7-14(21)18-15(8-13)23-16(26)10-29-18/h5-8,12H,9-10H2,1-4H3,(H,22,27)(H,23,26)
InChIKeyFKLRCMKBKYNWNN-UHFFFAOYSA-N
MW402.43 g/mol
LogP2.00
Rot. Bonds5

About 1-[1-(dimethylamino)propan-2-yl]-N-(8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)-4-methyl-2-oxopyridine-3-carboxamide

1-[1-(dimethylamino)propan-2-yl]-N-(8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)-4-methyl-2-oxopyridine-3-carboxamide (PubChem CID 172660730) has the molecular formula C20H23FN4O4 and a molecular weight of 402.43 g/mol. Its IUPAC name is 1-[1-(dimethylamino)propan-2-yl]-N-(8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)-4-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(dimethylamino)propan-2-yl]-N-(8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)-4-methyl-2-oxopyridine-3-carboxamide
PubChem CID172660730
Molecular FormulaC20H23FN4O4
Molecular Weight402.43 g/mol
Exact Mass402.17
IUPAC Name1-[1-(dimethylamino)propan-2-yl]-N-(8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)-4-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccn(C(C)CN(C)C)c(=O)c1C(=O)Nc1cc(F)c2c(c1)NC(=O)CO2
InChIInChI=1S/C20H23FN4O4/c1-11-5-6-25(12(2)9-24(3)4)20(28)17(11)19(27)22-13-7-14(21)18-15(8-13)23-16(26)10-29-18/h5-8,12H,9-10H2,1-4H3,(H,22,27)(H,23,26)
InChIKeyFKLRCMKBKYNWNN-UHFFFAOYSA-N
XLogP2.00
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(dimethylamino)propan-2-yl]-N-[4-(furan-2-ylmethoxy)phenyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172665805
1-[1-(dimethylamino)propan-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172672420
methyl 1-[[1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carbonyl]amino]cyclopropane-1-carboxylate
CID 172665005
3-(3,6-diazabicyclo[3.1.1]heptane-3-carbonyl)-1-[1-(dimethylamino)propan-2-yl]-4-methylpyridin-2-one
CID 172655396
N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172658972
1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxo-N-(4-pyridin-3-yloxyphenyl)pyridine-3-carboxamide
CID 172662023
1-[1-(dimethylamino)propan-2-yl]-4-methyl-N-(2-methyl-1-propylbenzimidazol-5-yl)-2-oxopyridine-3-carboxamide
CID 172661807
4-methyl-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172671910
2-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide
CID 110729628
(3R,4R)-N-(8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)-3-hydroxy-4-morpholin-4-ylpyrrolidine-1-carboxamide
CID 133132773
1-[1-(dimethylamino)propan-2-yl]-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172662811
1-(8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)-3-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]urea
CID 125164881

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-N-(8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)-4-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-N-(8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)-4-methyl-2-oxopyridine-3-carboxamide (CID 172660730) is 1-[1-(dimethylamino)propan-2-yl]-N-(8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)-4-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[1-(dimethylamino)propan-2-yl]-N-(8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)-4-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[1-(dimethylamino)propan-2-yl]-N-(8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)-4-methyl-2-oxopyridine-3-carboxamide is Cc1ccn(C(C)CN(C)C)c(=O)c1C(=O)Nc1cc(F)c2c(c1)NC(=O)CO2.
What is the InChIKey of 1-[1-(dimethylamino)propan-2-yl]-N-(8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)-4-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is FKLRCMKBKYNWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O4/c1-11-5-6-25(12(2)9-24(3)4)20(28)17(11)19(27)22-13-7-14(21)18-15(8-13)23-16(26)10-29-18/h5-8,12H,9-10H2,1-4H3,(H,22,27)(H,23,26).
What are the key properties of 1-[1-(dimethylamino)propan-2-yl]-N-(8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)-4-methyl-2-oxopyridine-3-carboxamide?
1-[1-(dimethylamino)propan-2-yl]-N-(8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)-4-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)propan-2-yl]-N-(8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)-4-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172660730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).