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

C26H21ClFN5O2 — CID 118430978

IUPAC4-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]benzene-1,2-dicarbonitrile
SMILESCn1cc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c(Nc2ccc(C#N)c(C#N)c2)c(Cl)c1=O
InChIInChI=1S/C26H21ClFN5O2/c1-32-15-22(25(34)33-10-8-17(9-11-33)16-2-5-20(28)6-3-16)24(23(27)26(32)35)31-21-7-4-18(13-29)19(12-21)14-30/h2-7,12,15,17,31H,8-11H2,1H3
InChIKeyWTPIBPARGRSVNS-UHFFFAOYSA-N
MW489.94 g/mol
LogP4.68
Rot. Bonds4

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

4-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]benzene-1,2-dicarbonitrile (PubChem CID 118430978) has the molecular formula C26H21ClFN5O2 and a molecular weight of 489.94 g/mol. Its IUPAC name is 4-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]benzene-1,2-dicarbonitrile
PubChem CID118430978
Molecular FormulaC26H21ClFN5O2
Molecular Weight489.94 g/mol
Exact Mass489.14
IUPAC Name4-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]benzene-1,2-dicarbonitrile
SMILESCn1cc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c(Nc2ccc(C#N)c(C#N)c2)c(Cl)c1=O
InChIInChI=1S/C26H21ClFN5O2/c1-32-15-22(25(34)33-10-8-17(9-11-33)16-2-5-20(28)6-3-16)24(23(27)26(32)35)31-21-7-4-18(13-29)19(12-21)14-30/h2-7,12,15,17,31H,8-11H2,1H3
InChIKeyWTPIBPARGRSVNS-UHFFFAOYSA-N
XLogP4.68
TPSA101.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.94
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]-2-fluorobenzonitrile
CID 118430909
3-chloro-4-(4-ethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 118431005
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-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 118430946
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
[6-chloro-4-(3-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412730
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
4-(3-bromoanilino)-3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonic acid
CID 118412671
[4-(2-chloro-5-fluoroanilino)-5-methyl-6-sulfanylidene-1H-pyridin-3-yl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412235
[6-chloro-4-(2-chloro-5-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412217

Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]benzene-1,2-dicarbonitrile (CID 118430978) is 4-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]benzene-1,2-dicarbonitrile is Cn1cc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c(Nc2ccc(C#N)c(C#N)c2)c(Cl)c1=O.
What is the InChIKey of 4-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]benzene-1,2-dicarbonitrile?
The InChIKey is WTPIBPARGRSVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFN5O2/c1-32-15-22(25(34)33-10-8-17(9-11-33)16-2-5-20(28)6-3-16)24(23(27)26(32)35)31-21-7-4-18(13-29)19(12-21)14-30/h2-7,12,15,17,31H,8-11H2,1H3.
What are the key properties of 4-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]benzene-1,2-dicarbonitrile?
4-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]benzene-1,2-dicarbonitrile has a molecular weight of 489.94 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 118430978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).