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

C21H26F3N5 — CID 46899904

IUPACN-cyclohexyl-4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESFC(F)(F)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCNCC2)c1
InChIInChI=1S/C21H26F3N5/c22-21(23,24)16-13-18(28-20(14-16)29-10-8-25-9-11-29)15-6-7-26-19(12-15)27-17-4-2-1-3-5-17/h6-7,12-14,17,25H,1-5,8-11H2,(H,26,27)
InChIKeyCNLCKMDXRXVYMV-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.32
Rot. Bonds4

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

N-cyclohexyl-4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 46899904) has the molecular formula C21H26F3N5 and a molecular weight of 405.47 g/mol. Its IUPAC name is N-cyclohexyl-4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
PubChem CID46899904
Molecular FormulaC21H26F3N5
Molecular Weight405.47 g/mol
Exact Mass405.21
IUPAC NameN-cyclohexyl-4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESFC(F)(F)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCNCC2)c1
InChIInChI=1S/C21H26F3N5/c22-21(23,24)16-13-18(28-20(14-16)29-10-8-25-9-11-29)15-6-7-26-19(12-15)27-17-4-2-1-3-5-17/h6-7,12-14,17,25H,1-5,8-11H2,(H,26,27)
InChIKeyCNLCKMDXRXVYMV-UHFFFAOYSA-N
XLogP4.32
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of N-cyclohexyl-4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (CID 46899904) is N-cyclohexyl-4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is FC(F)(F)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCNCC2)c1.
What is the InChIKey of N-cyclohexyl-4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is CNLCKMDXRXVYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N5/c22-21(23,24)16-13-18(28-20(14-16)29-10-8-25-9-11-29)15-6-7-26-19(12-15)27-17-4-2-1-3-5-17/h6-7,12-14,17,25H,1-5,8-11H2,(H,26,27).
What are the key properties of N-cyclohexyl-4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
N-cyclohexyl-4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 405.47 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[6-piperazin-1-yl-4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 46899904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).