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

C26H32N6 — CID 46900067

IUPACN-cyclohexyl-4-[1-(4-cyclopropylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine
SMILESc1cc2c(N3CCN(C4CC4)CC3)nc(-c3ccnc(NC4CCCCC4)c3)cc2cn1
InChIInChI=1S/C26H32N6/c1-2-4-21(5-3-1)29-25-17-19(8-11-28-25)24-16-20-18-27-10-9-23(20)26(30-24)32-14-12-31(13-15-32)22-6-7-22/h8-11,16-18,21-22H,1-7,12-15H2,(H,28,29)
InChIKeyAIDDIHXAPHOOIY-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.72
Rot. Bonds5

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

N-cyclohexyl-4-[1-(4-cyclopropylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine (PubChem CID 46900067) has the molecular formula C26H32N6 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-cyclohexyl-4-[1-(4-cyclopropylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[1-(4-cyclopropylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine
PubChem CID46900067
Molecular FormulaC26H32N6
Molecular Weight428.58 g/mol
Exact Mass428.27
IUPAC NameN-cyclohexyl-4-[1-(4-cyclopropylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine
SMILESc1cc2c(N3CCN(C4CC4)CC3)nc(-c3ccnc(NC4CCCCC4)c3)cc2cn1
InChIInChI=1S/C26H32N6/c1-2-4-21(5-3-1)29-25-17-19(8-11-28-25)24-16-20-18-27-10-9-23(20)26(30-24)32-14-12-31(13-15-32)22-6-7-22/h8-11,16-18,21-22H,1-7,12-15H2,(H,28,29)
InChIKeyAIDDIHXAPHOOIY-UHFFFAOYSA-N
XLogP4.72
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.72
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-cyclopropylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine?
The IUPAC name of N-cyclohexyl-4-[1-(4-cyclopropylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine (CID 46900067) is N-cyclohexyl-4-[1-(4-cyclopropylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[1-(4-cyclopropylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[1-(4-cyclopropylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine is c1cc2c(N3CCN(C4CC4)CC3)nc(-c3ccnc(NC4CCCCC4)c3)cc2cn1.
What is the InChIKey of N-cyclohexyl-4-[1-(4-cyclopropylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine?
The InChIKey is AIDDIHXAPHOOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6/c1-2-4-21(5-3-1)29-25-17-19(8-11-28-25)24-16-20-18-27-10-9-23(20)26(30-24)32-14-12-31(13-15-32)22-6-7-22/h8-11,16-18,21-22H,1-7,12-15H2,(H,28,29).
What are the key properties of N-cyclohexyl-4-[1-(4-cyclopropylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine?
N-cyclohexyl-4-[1-(4-cyclopropylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine has a molecular weight of 428.58 g/mol, XLogP of 4.72, 5 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-cyclopropylpiperazin-1-yl)-2,6-naphthyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 46900067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).