1-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)-6-oxopyridine-3-carboxamide

C23H29FN4O3 — CID 92635958

IUPAC1-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)-6-oxopyridine-3-carboxamide
SMILESCCN(CC)C1CCN(C(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)ccc2=O)CC1
InChIInChI=1S/C23H29FN4O3/c1-3-26(4-2)20-11-13-27(14-12-20)22(30)16-28-15-17(5-10-21(28)29)23(31)25-19-8-6-18(24)7-9-19/h5-10,15,20H,3-4,11-14,16H2,1-2H3,(H,25,31)
InChIKeySKCKUAOWIFDUEQ-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.57
Rot. Bonds7

About 1-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)-6-oxopyridine-3-carboxamide

1-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)-6-oxopyridine-3-carboxamide (PubChem CID 92635958) has the molecular formula C23H29FN4O3 and a molecular weight of 428.51 g/mol. Its IUPAC name is 1-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)-6-oxopyridine-3-carboxamide
PubChem CID92635958
Molecular FormulaC23H29FN4O3
Molecular Weight428.51 g/mol
Exact Mass428.22
IUPAC Name1-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)-6-oxopyridine-3-carboxamide
SMILESCCN(CC)C1CCN(C(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)ccc2=O)CC1
InChIInChI=1S/C23H29FN4O3/c1-3-26(4-2)20-11-13-27(14-12-20)22(30)16-28-15-17(5-10-21(28)29)23(31)25-19-8-6-18(24)7-9-19/h5-10,15,20H,3-4,11-14,16H2,1-2H3,(H,25,31)
InChIKeySKCKUAOWIFDUEQ-UHFFFAOYSA-N
XLogP2.57
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(4-fluorophenyl)carbamoyl]-2-oxo-1-pyridinyl]acetic acid
CID 110082545
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843818
N-(1-ethyl-6-oxo-3-pyridinyl)-4-fluorobenzamide
CID 47254966
N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671146
N-(4-fluorophenyl)-2-[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperazin-1-yl]acetamide
CID 27850319
1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 26843824
N-(4-fluorophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8697248
1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 61488673
N-(4-fluorophenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]pyridine-3-carboxamide
CID 92635901
N-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843841
butyl 4-[[1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate
CID 8671148
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-6-oxopyridine-3-carboxamide
CID 92634566

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)-6-oxopyridine-3-carboxamide (CID 92635958) is 1-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)-6-oxopyridine-3-carboxamide is CCN(CC)C1CCN(C(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)ccc2=O)CC1.
What is the InChIKey of 1-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)-6-oxopyridine-3-carboxamide?
The InChIKey is SKCKUAOWIFDUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O3/c1-3-26(4-2)20-11-13-27(14-12-20)22(30)16-28-15-17(5-10-21(28)29)23(31)25-19-8-6-18(24)7-9-19/h5-10,15,20H,3-4,11-14,16H2,1-2H3,(H,25,31).
What are the key properties of 1-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)-6-oxopyridine-3-carboxamide?
1-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)-6-oxopyridine-3-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 92635958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).