1-(cyclopropylmethyl)-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile

C21H21F2N3O — CID 118714755

IUPAC1-(cyclopropylmethyl)-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC(c3ccc(F)cc3F)CC2)ccn(CC2CC2)c1=O
InChIInChI=1S/C21H21F2N3O/c22-16-3-4-17(19(23)11-16)15-5-8-25(9-6-15)20-7-10-26(13-14-1-2-14)21(27)18(20)12-24/h3-4,7,10-11,14-15H,1-2,5-6,8-9,13H2
InChIKeyUHQRWNGTIRKPSP-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.79
Rot. Bonds4

About 1-(cyclopropylmethyl)-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile

1-(cyclopropylmethyl)-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile (PubChem CID 118714755) has the molecular formula C21H21F2N3O and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile
PubChem CID118714755
Molecular FormulaC21H21F2N3O
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name1-(cyclopropylmethyl)-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC(c3ccc(F)cc3F)CC2)ccn(CC2CC2)c1=O
InChIInChI=1S/C21H21F2N3O/c22-16-3-4-17(19(23)11-16)15-5-8-25(9-6-15)20-7-10-26(13-14-1-2-14)21(27)18(20)12-24/h3-4,7,10-11,14-15H,1-2,5-6,8-9,13H2
InChIKeyUHQRWNGTIRKPSP-UHFFFAOYSA-N
XLogP3.79
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(cyclopropylmethyl)-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile (CID 118714755) is 1-(cyclopropylmethyl)-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile is N#Cc1c(N2CCC(c3ccc(F)cc3F)CC2)ccn(CC2CC2)c1=O.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile?
The InChIKey is UHQRWNGTIRKPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O/c22-16-3-4-17(19(23)11-16)15-5-8-25(9-6-15)20-7-10-26(13-14-1-2-14)21(27)18(20)12-24/h3-4,7,10-11,14-15H,1-2,5-6,8-9,13H2.
What are the key properties of 1-(cyclopropylmethyl)-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile?
1-(cyclopropylmethyl)-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile has a molecular weight of 369.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 118714755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).