N-(1-cyclohexylpiperidin-4-yl)-6-(2,4-difluorophenyl)pyrimidine-4-carboxamide

C22H26F2N4O — CID 162655850

IUPACN-(1-cyclohexylpiperidin-4-yl)-6-(2,4-difluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(NC1CCN(C2CCCCC2)CC1)c1cc(-c2ccc(F)cc2F)ncn1
InChIInChI=1S/C22H26F2N4O/c23-15-6-7-18(19(24)12-15)20-13-21(26-14-25-20)22(29)27-16-8-10-28(11-9-16)17-4-2-1-3-5-17/h6-7,12-14,16-17H,1-5,8-11H2,(H,27,29)
InChIKeyBDOMQJIBYHPTGG-UHFFFAOYSA-N
MW400.47 g/mol
LogP3.95
Rot. Bonds4

About N-(1-cyclohexylpiperidin-4-yl)-6-(2,4-difluorophenyl)pyrimidine-4-carboxamide

N-(1-cyclohexylpiperidin-4-yl)-6-(2,4-difluorophenyl)pyrimidine-4-carboxamide (PubChem CID 162655850) has the molecular formula C22H26F2N4O and a molecular weight of 400.47 g/mol. Its IUPAC name is N-(1-cyclohexylpiperidin-4-yl)-6-(2,4-difluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylpiperidin-4-yl)-6-(2,4-difluorophenyl)pyrimidine-4-carboxamide
PubChem CID162655850
Molecular FormulaC22H26F2N4O
Molecular Weight400.47 g/mol
Exact Mass400.21
IUPAC NameN-(1-cyclohexylpiperidin-4-yl)-6-(2,4-difluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(NC1CCN(C2CCCCC2)CC1)c1cc(-c2ccc(F)cc2F)ncn1
InChIInChI=1S/C22H26F2N4O/c23-15-6-7-18(19(24)12-15)20-13-21(26-14-25-20)22(29)27-16-8-10-28(11-9-16)17-4-2-1-3-5-17/h6-7,12-14,16-17H,1-5,8-11H2,(H,27,29)
InChIKeyBDOMQJIBYHPTGG-UHFFFAOYSA-N
XLogP3.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpiperidin-4-yl)-6-(2,4-difluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of N-(1-cyclohexylpiperidin-4-yl)-6-(2,4-difluorophenyl)pyrimidine-4-carboxamide (CID 162655850) is N-(1-cyclohexylpiperidin-4-yl)-6-(2,4-difluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(1-cyclohexylpiperidin-4-yl)-6-(2,4-difluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(1-cyclohexylpiperidin-4-yl)-6-(2,4-difluorophenyl)pyrimidine-4-carboxamide is O=C(NC1CCN(C2CCCCC2)CC1)c1cc(-c2ccc(F)cc2F)ncn1.
What is the InChIKey of N-(1-cyclohexylpiperidin-4-yl)-6-(2,4-difluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is BDOMQJIBYHPTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N4O/c23-15-6-7-18(19(24)12-15)20-13-21(26-14-25-20)22(29)27-16-8-10-28(11-9-16)17-4-2-1-3-5-17/h6-7,12-14,16-17H,1-5,8-11H2,(H,27,29).
What are the key properties of N-(1-cyclohexylpiperidin-4-yl)-6-(2,4-difluorophenyl)pyrimidine-4-carboxamide?
N-(1-cyclohexylpiperidin-4-yl)-6-(2,4-difluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 400.47 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpiperidin-4-yl)-6-(2,4-difluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 162655850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).