N-cyclohexyl-4-[4-(difluoromethyl)-6-piperazin-1-yl-2-pyridinyl]pyridin-2-amine

C21H27F2N5 — CID 46899905

IUPACN-cyclohexyl-4-[4-(difluoromethyl)-6-piperazin-1-yl-2-pyridinyl]pyridin-2-amine
SMILESFC(F)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCNCC2)c1
InChIInChI=1S/C21H27F2N5/c22-21(23)16-12-18(27-20(14-16)28-10-8-24-9-11-28)15-6-7-25-19(13-15)26-17-4-2-1-3-5-17/h6-7,12-14,17,21,24H,1-5,8-11H2,(H,25,26)
InChIKeyVAVGLCQDZFLPHS-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.24
Rot. Bonds5

About N-cyclohexyl-4-[4-(difluoromethyl)-6-piperazin-1-yl-2-pyridinyl]pyridin-2-amine

N-cyclohexyl-4-[4-(difluoromethyl)-6-piperazin-1-yl-2-pyridinyl]pyridin-2-amine (PubChem CID 46899905) has the molecular formula C21H27F2N5 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-cyclohexyl-4-[4-(difluoromethyl)-6-piperazin-1-yl-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[4-(difluoromethyl)-6-piperazin-1-yl-2-pyridinyl]pyridin-2-amine
PubChem CID46899905
Molecular FormulaC21H27F2N5
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC NameN-cyclohexyl-4-[4-(difluoromethyl)-6-piperazin-1-yl-2-pyridinyl]pyridin-2-amine
SMILESFC(F)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCNCC2)c1
InChIInChI=1S/C21H27F2N5/c22-21(23)16-12-18(27-20(14-16)28-10-8-24-9-11-28)15-6-7-25-19(13-15)26-17-4-2-1-3-5-17/h6-7,12-14,17,21,24H,1-5,8-11H2,(H,25,26)
InChIKeyVAVGLCQDZFLPHS-UHFFFAOYSA-N
XLogP4.24
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[4-(difluoromethyl)-6-piperazin-1-yl-2-pyridinyl]pyridin-2-amine?
The IUPAC name of N-cyclohexyl-4-[4-(difluoromethyl)-6-piperazin-1-yl-2-pyridinyl]pyridin-2-amine (CID 46899905) is N-cyclohexyl-4-[4-(difluoromethyl)-6-piperazin-1-yl-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[4-(difluoromethyl)-6-piperazin-1-yl-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[4-(difluoromethyl)-6-piperazin-1-yl-2-pyridinyl]pyridin-2-amine is FC(F)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCNCC2)c1.
What is the InChIKey of N-cyclohexyl-4-[4-(difluoromethyl)-6-piperazin-1-yl-2-pyridinyl]pyridin-2-amine?
The InChIKey is VAVGLCQDZFLPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F2N5/c22-21(23)16-12-18(27-20(14-16)28-10-8-24-9-11-28)15-6-7-25-19(13-15)26-17-4-2-1-3-5-17/h6-7,12-14,17,21,24H,1-5,8-11H2,(H,25,26).
What are the key properties of N-cyclohexyl-4-[4-(difluoromethyl)-6-piperazin-1-yl-2-pyridinyl]pyridin-2-amine?
N-cyclohexyl-4-[4-(difluoromethyl)-6-piperazin-1-yl-2-pyridinyl]pyridin-2-amine has a molecular weight of 387.48 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[4-(difluoromethyl)-6-piperazin-1-yl-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 46899905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).