5-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]-2-fluorobenzonitrile

C25H21ClF2N4O2 — CID 118430909

IUPAC5-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]-2-fluorobenzonitrile
SMILESCn1cc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c(Nc2ccc(F)c(C#N)c2)c(Cl)c1=O
InChIInChI=1S/C25H21ClF2N4O2/c1-31-14-20(23(22(26)25(31)34)30-19-6-7-21(28)17(12-19)13-29)24(33)32-10-8-16(9-11-32)15-2-4-18(27)5-3-15/h2-7,12,14,16,30H,8-11H2,1H3
InChIKeyFGYLDLSWZQJHCH-UHFFFAOYSA-N
MW482.92 g/mol
LogP4.95
Rot. Bonds4

About 5-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]-2-fluorobenzonitrile

5-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]-2-fluorobenzonitrile (PubChem CID 118430909) has the molecular formula C25H21ClF2N4O2 and a molecular weight of 482.92 g/mol. Its IUPAC name is 5-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]-2-fluorobenzonitrile
PubChem CID118430909
Molecular FormulaC25H21ClF2N4O2
Molecular Weight482.92 g/mol
Exact Mass482.13
IUPAC Name5-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]-2-fluorobenzonitrile
SMILESCn1cc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c(Nc2ccc(F)c(C#N)c2)c(Cl)c1=O
InChIInChI=1S/C25H21ClF2N4O2/c1-31-14-20(23(22(26)25(31)34)30-19-6-7-21(28)17(12-19)13-29)24(33)32-10-8-16(9-11-32)15-2-4-18(27)5-3-15/h2-7,12,14,16,30H,8-11H2,1H3
InChIKeyFGYLDLSWZQJHCH-UHFFFAOYSA-N
XLogP4.95
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.92
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]-2-fluorobenzonitrile with MolForge

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Related Compounds

4-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]benzene-1,2-dicarbonitrile
CID 118430978
3-chloro-4-(4-ethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 118431005
3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 118430946
3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-4-[(1-methylindazol-6-yl)amino]pyridin-2-one
CID 118431008
3-chloro-4-[(4-chlorophenyl)methylamino]-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 118431051
3-chloro-4-(2-chloro-5-methylanilino)-1-cyclopropyl-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridin-2-one
CID 118430845
3-amino-4-(1,3-benzothiazol-6-ylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 118430785
3-chloro-4-(5-chloro-2-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 118430934
[6-chloro-4-(3-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412730
4-(3-bromoanilino)-3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonic acid
CID 118412671
[4-(4-chloro-2-methylanilino)-6-sulfanylidene-1H-pyridin-3-yl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412613
[6-chloro-4-(4-chloro-2-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412213

Frequently Asked Questions

What is the IUPAC name of 5-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]-2-fluorobenzonitrile?
The IUPAC name of 5-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]-2-fluorobenzonitrile (CID 118430909) is 5-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]-2-fluorobenzonitrile?
The canonical SMILES for 5-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]-2-fluorobenzonitrile is Cn1cc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c(Nc2ccc(F)c(C#N)c2)c(Cl)c1=O.
What is the InChIKey of 5-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]-2-fluorobenzonitrile?
The InChIKey is FGYLDLSWZQJHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF2N4O2/c1-31-14-20(23(22(26)25(31)34)30-19-6-7-21(28)17(12-19)13-29)24(33)32-10-8-16(9-11-32)15-2-4-18(27)5-3-15/h2-7,12,14,16,30H,8-11H2,1H3.
What are the key properties of 5-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]-2-fluorobenzonitrile?
5-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]-2-fluorobenzonitrile has a molecular weight of 482.92 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]-2-fluorobenzonitrile is sourced from PubChem (CID 118430909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).