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

C26H34N6O — CID 46899902

IUPAC4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine
SMILESCC(C)CN1CCN(c2nc(-c3ccnc(NC4CCOCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C26H34N6O/c1-19(2)18-31-9-11-32(12-10-31)26-23-4-7-27-17-21(23)15-24(30-26)20-3-8-28-25(16-20)29-22-5-13-33-14-6-22/h3-4,7-8,15-17,19,22H,5-6,9-14,18H2,1-2H3,(H,28,29)
InChIKeyPQIBJTXBLUQNSP-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.06
Rot. Bonds6

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

4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine (PubChem CID 46899902) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is 4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine
PubChem CID46899902
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC Name4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine
SMILESCC(C)CN1CCN(c2nc(-c3ccnc(NC4CCOCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C26H34N6O/c1-19(2)18-31-9-11-32(12-10-31)26-23-4-7-27-17-21(23)15-24(30-26)20-3-8-28-25(16-20)29-22-5-13-33-14-6-22/h3-4,7-8,15-17,19,22H,5-6,9-14,18H2,1-2H3,(H,28,29)
InChIKeyPQIBJTXBLUQNSP-UHFFFAOYSA-N
XLogP4.06
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
2-Methyl-N~1~-[3-(Pyridin-4-Yl)-2,6-Naphthyridin-1-Yl]propane-1,2-Diamine
CID 24996161
7-[6-(Dimethylamino)pyridin-3-Yl]-~{n}-[[(3~{s})-Piperidin-3-Yl]methyl]pyrido[3,4-B]pyrazin-5-Amine
CID 66555698
4-(1-Piperazin-1-yl[2,6]naphthyridin-3-yl)pyridin-2-yl](tetrahydropyran-4-yl)amine
CID 46899901
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]-piperidine-4-carboxylic Acid Piperidin-4-ylamide
CID 46900230
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]piperidine-4-carboxylic Acid(2-Pyrrolidin-1-ylethyl)amide
CID 46900235
1-{3-[2-(Tetrahydropyran-4-ylamino)pyridin-4-yl][2,6]naphthyridin-1-yl}piperidine-4-carboxylic Acid(2-Pyrrolidin-1-ylethyl)-amide
CID 46900891
N-(2-(pyrrolidin-1-yl)ethyl)-1-(3-(2-(tetrahydro-2H-pyran-4-ylamino)pyridin-4-yl)-2,6-naphthyridin-1-yl)piperidine-4-carboxamide
CID 46901056
1,6-Naphthyridine 28
CID 5330138
5-(2,3-Dimethyl-cyclohexyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381850
N*1*-[7-(4-Morpholin-4-yl-phenyl)-[1,6]naphthyridin-5-yl]-propane-1,3-diamine
CID 9820420
N-(6-(2-aminopyrimidin-5-yl)-2-morpholinopyrimidin-4-yl)quinolin-3-amine
CID 23630332

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine?
The IUPAC name of 4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine (CID 46899902) is 4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine.
What is the SMILES notation for 4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine?
The canonical SMILES for 4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine is CC(C)CN1CCN(c2nc(-c3ccnc(NC4CCOCC4)c3)cc3cnccc23)CC1.
What is the InChIKey of 4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine?
The InChIKey is PQIBJTXBLUQNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O/c1-19(2)18-31-9-11-32(12-10-31)26-23-4-7-27-17-21(23)15-24(30-26)20-3-8-28-25(16-20)29-22-5-13-33-14-6-22/h3-4,7-8,15-17,19,22H,5-6,9-14,18H2,1-2H3,(H,28,29).
What are the key properties of 4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine?
4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine has a molecular weight of 446.60 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(2-methylpropyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine is sourced from PubChem (CID 46899902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).