5-(4,4-difluorocyclohexyl)-2,4-dimethylpyridine-3-carboxamide

C14H18F2N2O — CID 175397017

IUPAC5-(4,4-difluorocyclohexyl)-2,4-dimethylpyridine-3-carboxamide
SMILESCc1ncc(C2CCC(F)(F)CC2)c(C)c1C(N)=O
InChIInChI=1S/C14H18F2N2O/c1-8-11(7-18-9(2)12(8)13(17)19)10-3-5-14(15,16)6-4-10/h7,10H,3-6H2,1-2H3,(H2,17,19)
InChIKeyPJCYSMNWNMOOMY-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.09
Rot. Bonds2

About 5-(4,4-difluorocyclohexyl)-2,4-dimethylpyridine-3-carboxamide

5-(4,4-difluorocyclohexyl)-2,4-dimethylpyridine-3-carboxamide (PubChem CID 175397017) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 5-(4,4-difluorocyclohexyl)-2,4-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4,4-difluorocyclohexyl)-2,4-dimethylpyridine-3-carboxamide
PubChem CID175397017
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name5-(4,4-difluorocyclohexyl)-2,4-dimethylpyridine-3-carboxamide
SMILESCc1ncc(C2CCC(F)(F)CC2)c(C)c1C(N)=O
InChIInChI=1S/C14H18F2N2O/c1-8-11(7-18-9(2)12(8)13(17)19)10-3-5-14(15,16)6-4-10/h7,10H,3-6H2,1-2H3,(H2,17,19)
InChIKeyPJCYSMNWNMOOMY-UHFFFAOYSA-N
XLogP3.09
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluorocyclohexyl)-2,4-dimethylpyridine-3-carboxamide?
The IUPAC name of 5-(4,4-difluorocyclohexyl)-2,4-dimethylpyridine-3-carboxamide (CID 175397017) is 5-(4,4-difluorocyclohexyl)-2,4-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4,4-difluorocyclohexyl)-2,4-dimethylpyridine-3-carboxamide?
The canonical SMILES for 5-(4,4-difluorocyclohexyl)-2,4-dimethylpyridine-3-carboxamide is Cc1ncc(C2CCC(F)(F)CC2)c(C)c1C(N)=O.
What is the InChIKey of 5-(4,4-difluorocyclohexyl)-2,4-dimethylpyridine-3-carboxamide?
The InChIKey is PJCYSMNWNMOOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-8-11(7-18-9(2)12(8)13(17)19)10-3-5-14(15,16)6-4-10/h7,10H,3-6H2,1-2H3,(H2,17,19).
What are the key properties of 5-(4,4-difluorocyclohexyl)-2,4-dimethylpyridine-3-carboxamide?
5-(4,4-difluorocyclohexyl)-2,4-dimethylpyridine-3-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluorocyclohexyl)-2,4-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 175397017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).