4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexane-1-carboxamide

C20H27F2N3O — CID 146329996

IUPAC4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexane-1-carboxamide
SMILESCc1cccc(C2=CCN(CCNC(=O)C3CCC(F)(F)CC3)CC2)n1
InChIInChI=1S/C20H27F2N3O/c1-15-3-2-4-18(24-15)16-7-12-25(13-8-16)14-11-23-19(26)17-5-9-20(21,22)10-6-17/h2-4,7,17H,5-6,8-14H2,1H3,(H,23,26)
InChIKeySKSOBHHSERUEOI-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.42
Rot. Bonds5

About 4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexane-1-carboxamide

4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexane-1-carboxamide (PubChem CID 146329996) has the molecular formula C20H27F2N3O and a molecular weight of 363.45 g/mol. Its IUPAC name is 4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexane-1-carboxamide
PubChem CID146329996
Molecular FormulaC20H27F2N3O
Molecular Weight363.45 g/mol
Exact Mass363.21
IUPAC Name4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexane-1-carboxamide
SMILESCc1cccc(C2=CCN(CCNC(=O)C3CCC(F)(F)CC3)CC2)n1
InChIInChI=1S/C20H27F2N3O/c1-15-3-2-4-18(24-15)16-7-12-25(13-8-16)14-11-23-19(26)17-5-9-20(21,22)10-6-17/h2-4,7,17H,5-6,8-14H2,1H3,(H,23,26)
InChIKeySKSOBHHSERUEOI-UHFFFAOYSA-N
XLogP3.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexane-1-carboxamide (CID 146329996) is 4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexane-1-carboxamide is Cc1cccc(C2=CCN(CCNC(=O)C3CCC(F)(F)CC3)CC2)n1.
What is the InChIKey of 4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexane-1-carboxamide?
The InChIKey is SKSOBHHSERUEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N3O/c1-15-3-2-4-18(24-15)16-7-12-25(13-8-16)14-11-23-19(26)17-5-9-20(21,22)10-6-17/h2-4,7,17H,5-6,8-14H2,1H3,(H,23,26).
What are the key properties of 4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexane-1-carboxamide?
4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexane-1-carboxamide has a molecular weight of 363.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 146329996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).