N-cyclohexyl-4-[1-(4-methylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine

C24H30N6 — CID 25020308

IUPACN-cyclohexyl-4-[1-(4-methylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine
SMILESCN1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C24H30N6/c1-29-11-13-30(14-12-29)24-21-8-9-25-17-19(21)15-22(28-24)18-7-10-26-23(16-18)27-20-5-3-2-4-6-20/h7-10,15-17,20H,2-6,11-14H2,1H3,(H,26,27)
InChIKeyODZDPBQFGKFNOC-UHFFFAOYSA-N
MW402.55 g/mol
LogP4.19
Rot. Bonds4

About N-cyclohexyl-4-[1-(4-methylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine

N-cyclohexyl-4-[1-(4-methylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine (PubChem CID 25020308) has the molecular formula C24H30N6 and a molecular weight of 402.55 g/mol. Its IUPAC name is N-cyclohexyl-4-[1-(4-methylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[1-(4-methylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine
PubChem CID25020308
Molecular FormulaC24H30N6
Molecular Weight402.55 g/mol
Exact Mass402.25
IUPAC NameN-cyclohexyl-4-[1-(4-methylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine
SMILESCN1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C24H30N6/c1-29-11-13-30(14-12-29)24-21-8-9-25-17-19(21)15-22(28-24)18-7-10-26-23(16-18)27-20-5-3-2-4-6-20/h7-10,15-17,20H,2-6,11-14H2,1H3,(H,26,27)
InChIKeyODZDPBQFGKFNOC-UHFFFAOYSA-N
XLogP4.19
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[1-(4-methylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine?
The IUPAC name of N-cyclohexyl-4-[1-(4-methylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine (CID 25020308) is N-cyclohexyl-4-[1-(4-methylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[1-(4-methylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[1-(4-methylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine is CN1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1.
What is the InChIKey of N-cyclohexyl-4-[1-(4-methylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine?
The InChIKey is ODZDPBQFGKFNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6/c1-29-11-13-30(14-12-29)24-21-8-9-25-17-19(21)15-22(28-24)18-7-10-26-23(16-18)27-20-5-3-2-4-6-20/h7-10,15-17,20H,2-6,11-14H2,1H3,(H,26,27).
What are the key properties of N-cyclohexyl-4-[1-(4-methylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine?
N-cyclohexyl-4-[1-(4-methylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine has a molecular weight of 402.55 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[1-(4-methylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 25020308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).