4-(3-cyano-2-pyridinyl)-N-(3,3-difluorocyclohexyl)piperazine-1-carboxamide

C17H21F2N5O — CID 136516128

IUPAC4-(3-cyano-2-pyridinyl)-N-(3,3-difluorocyclohexyl)piperazine-1-carboxamide
SMILESN#Cc1cccnc1N1CCN(C(=O)NC2CCCC(F)(F)C2)CC1
InChIInChI=1S/C17H21F2N5O/c18-17(19)5-1-4-14(11-17)22-16(25)24-9-7-23(8-10-24)15-13(12-20)3-2-6-21-15/h2-3,6,14H,1,4-5,7-11H2,(H,22,25)
InChIKeyINBIFCFPUMCUMG-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.36
Rot. Bonds2

About 4-(3-cyano-2-pyridinyl)-N-(3,3-difluorocyclohexyl)piperazine-1-carboxamide

4-(3-cyano-2-pyridinyl)-N-(3,3-difluorocyclohexyl)piperazine-1-carboxamide (PubChem CID 136516128) has the molecular formula C17H21F2N5O and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-(3-cyano-2-pyridinyl)-N-(3,3-difluorocyclohexyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-cyano-2-pyridinyl)-N-(3,3-difluorocyclohexyl)piperazine-1-carboxamide
PubChem CID136516128
Molecular FormulaC17H21F2N5O
Molecular Weight349.39 g/mol
Exact Mass349.17
IUPAC Name4-(3-cyano-2-pyridinyl)-N-(3,3-difluorocyclohexyl)piperazine-1-carboxamide
SMILESN#Cc1cccnc1N1CCN(C(=O)NC2CCCC(F)(F)C2)CC1
InChIInChI=1S/C17H21F2N5O/c18-17(19)5-1-4-14(11-17)22-16(25)24-9-7-23(8-10-24)15-13(12-20)3-2-6-21-15/h2-3,6,14H,1,4-5,7-11H2,(H,22,25)
InChIKeyINBIFCFPUMCUMG-UHFFFAOYSA-N
XLogP2.36
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-cyano-2-pyridinyl)-N-(3,3-difluorocyclohexyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-2-pyridinyl)-N-(3,3-difluorocyclohexyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-cyano-2-pyridinyl)-N-(3,3-difluorocyclohexyl)piperazine-1-carboxamide (CID 136516128) is 4-(3-cyano-2-pyridinyl)-N-(3,3-difluorocyclohexyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-cyano-2-pyridinyl)-N-(3,3-difluorocyclohexyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-cyano-2-pyridinyl)-N-(3,3-difluorocyclohexyl)piperazine-1-carboxamide is N#Cc1cccnc1N1CCN(C(=O)NC2CCCC(F)(F)C2)CC1.
What is the InChIKey of 4-(3-cyano-2-pyridinyl)-N-(3,3-difluorocyclohexyl)piperazine-1-carboxamide?
The InChIKey is INBIFCFPUMCUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N5O/c18-17(19)5-1-4-14(11-17)22-16(25)24-9-7-23(8-10-24)15-13(12-20)3-2-6-21-15/h2-3,6,14H,1,4-5,7-11H2,(H,22,25).
What are the key properties of 4-(3-cyano-2-pyridinyl)-N-(3,3-difluorocyclohexyl)piperazine-1-carboxamide?
4-(3-cyano-2-pyridinyl)-N-(3,3-difluorocyclohexyl)piperazine-1-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-2-pyridinyl)-N-(3,3-difluorocyclohexyl)piperazine-1-carboxamide is sourced from PubChem (CID 136516128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).