N-cyclohexyl-4-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine

C26H31N5 — CID 58229715

IUPACN-cyclohexyl-4-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine
SMILESc1ccc(-c2ccc(N3CCNCC3)nc2-c2ccnc(NC3CCCCC3)c2)cc1
InChIInChI=1S/C26H31N5/c1-3-7-20(8-4-1)23-11-12-25(31-17-15-27-16-18-31)30-26(23)21-13-14-28-24(19-21)29-22-9-5-2-6-10-22/h1,3-4,7-8,11-14,19,22,27H,2,5-6,9-10,15-18H2,(H,28,29)
InChIKeyIDGJEWOEDLGHCN-UHFFFAOYSA-N
MW413.57 g/mol
LogP4.96
Rot. Bonds5

About N-cyclohexyl-4-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine

N-cyclohexyl-4-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine (PubChem CID 58229715) has the molecular formula C26H31N5 and a molecular weight of 413.57 g/mol. Its IUPAC name is N-cyclohexyl-4-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine
PubChem CID58229715
Molecular FormulaC26H31N5
Molecular Weight413.57 g/mol
Exact Mass413.26
IUPAC NameN-cyclohexyl-4-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine
SMILESc1ccc(-c2ccc(N3CCNCC3)nc2-c2ccnc(NC3CCCCC3)c2)cc1
InChIInChI=1S/C26H31N5/c1-3-7-20(8-4-1)23-11-12-25(31-17-15-27-16-18-31)30-26(23)21-13-14-28-24(19-21)29-22-9-5-2-6-10-22/h1,3-4,7-8,11-14,19,22,27H,2,5-6,9-10,15-18H2,(H,28,29)
InChIKeyIDGJEWOEDLGHCN-UHFFFAOYSA-N
XLogP4.96
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine?
The IUPAC name of N-cyclohexyl-4-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine (CID 58229715) is N-cyclohexyl-4-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-4-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine is c1ccc(-c2ccc(N3CCNCC3)nc2-c2ccnc(NC3CCCCC3)c2)cc1.
What is the InChIKey of N-cyclohexyl-4-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine?
The InChIKey is IDGJEWOEDLGHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5/c1-3-7-20(8-4-1)23-11-12-25(31-17-15-27-16-18-31)30-26(23)21-13-14-28-24(19-21)29-22-9-5-2-6-10-22/h1,3-4,7-8,11-14,19,22,27H,2,5-6,9-10,15-18H2,(H,28,29).
What are the key properties of N-cyclohexyl-4-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine?
N-cyclohexyl-4-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine has a molecular weight of 413.57 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 58229715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).