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

C27H36N6 — CID 46899899

IUPACN-cyclohexyl-4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine
SMILESCC(C)CN1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C27H36N6/c1-20(2)19-32-12-14-33(15-13-32)27-24-9-10-28-18-22(24)16-25(31-27)21-8-11-29-26(17-21)30-23-6-4-3-5-7-23/h8-11,16-18,20,23H,3-7,12-15,19H2,1-2H3,(H,29,30)
InChIKeyPLMLKPBHGMZTSK-UHFFFAOYSA-N
MW444.63 g/mol
LogP5.21
Rot. Bonds6

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

N-cyclohexyl-4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine (PubChem CID 46899899) has the molecular formula C27H36N6 and a molecular weight of 444.63 g/mol. Its IUPAC name is N-cyclohexyl-4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine
PubChem CID46899899
Molecular FormulaC27H36N6
Molecular Weight444.63 g/mol
Exact Mass444.30
IUPAC NameN-cyclohexyl-4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine
SMILESCC(C)CN1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C27H36N6/c1-20(2)19-32-12-14-33(15-13-32)27-24-9-10-28-18-22(24)16-25(31-27)21-8-11-29-26(17-21)30-23-6-4-3-5-7-23/h8-11,16-18,20,23H,3-7,12-15,19H2,1-2H3,(H,29,30)
InChIKeyPLMLKPBHGMZTSK-UHFFFAOYSA-N
XLogP5.21
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.63
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine with MolForge

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Related Compounds

Sri-9439
CID 446752
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
Isoquinoline, 1-amino-3-(2-pyridyl)-
CID 217000
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
N-{7-[4-(Dimethylamino)phenyl]-1,6-Naphthyridin-5-Yl}propane-1,3-Diamine
CID 9818573
1-Phenyl-3-(3-(pyridin-2-yl)isoquinolin-1-yl)urea
CID 10640891
[3-(4-Methylpiperazin-1-yl)propyl]({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)amine
CID 11585287
1-(Piperazin-1-yl)isoquinoline
CID 15887436
2-Methyl-N~1~-[3-(Pyridin-4-Yl)-2,6-Naphthyridin-1-Yl]propane-1,2-Diamine
CID 24996161
6,6'-(Pyridine-3,5-Diyldiethane-2,1-Diyl)bis(4-Methylpyridin-2-Amine)
CID 46847260

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine?
The IUPAC name of N-cyclohexyl-4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine (CID 46899899) is N-cyclohexyl-4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine is CC(C)CN1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1.
What is the InChIKey of N-cyclohexyl-4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine?
The InChIKey is PLMLKPBHGMZTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6/c1-20(2)19-32-12-14-33(15-13-32)27-24-9-10-28-18-22(24)16-25(31-27)21-8-11-29-26(17-21)30-23-6-4-3-5-7-23/h8-11,16-18,20,23H,3-7,12-15,19H2,1-2H3,(H,29,30).
What are the key properties of N-cyclohexyl-4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine?
N-cyclohexyl-4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine has a molecular weight of 444.63 g/mol, XLogP of 5.21, 6 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-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 46899899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).