1-(4-cyano-2,6-difluorophenyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C19H18F2N4O — CID 47089927

IUPAC1-(4-cyano-2,6-difluorophenyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(c3c(F)cc(C#N)cc3F)CC2)c1
InChIInChI=1S/C19H18F2N4O/c1-12-2-5-23-17(8-12)24-19(26)14-3-6-25(7-4-14)18-15(20)9-13(11-22)10-16(18)21/h2,5,8-10,14H,3-4,6-7H2,1H3,(H,23,24,26)
InChIKeyRMZZRYYFBKYNHI-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.39
Rot. Bonds3

About 1-(4-cyano-2,6-difluorophenyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

1-(4-cyano-2,6-difluorophenyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 47089927) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-(4-cyano-2,6-difluorophenyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-2,6-difluorophenyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID47089927
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name1-(4-cyano-2,6-difluorophenyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(c3c(F)cc(C#N)cc3F)CC2)c1
InChIInChI=1S/C19H18F2N4O/c1-12-2-5-23-17(8-12)24-19(26)14-3-6-25(7-4-14)18-15(20)9-13(11-22)10-16(18)21/h2,5,8-10,14H,3-4,6-7H2,1H3,(H,23,24,26)
InChIKeyRMZZRYYFBKYNHI-UHFFFAOYSA-N
XLogP3.39
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-2,6-difluorophenyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-cyano-2,6-difluorophenyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 47089927) is 1-(4-cyano-2,6-difluorophenyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyano-2,6-difluorophenyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyano-2,6-difluorophenyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccnc(NC(=O)C2CCN(c3c(F)cc(C#N)cc3F)CC2)c1.
What is the InChIKey of 1-(4-cyano-2,6-difluorophenyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is RMZZRYYFBKYNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O/c1-12-2-5-23-17(8-12)24-19(26)14-3-6-25(7-4-14)18-15(20)9-13(11-22)10-16(18)21/h2,5,8-10,14H,3-4,6-7H2,1H3,(H,23,24,26).
What are the key properties of 1-(4-cyano-2,6-difluorophenyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-(4-cyano-2,6-difluorophenyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-2,6-difluorophenyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 47089927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).