4-[1-[4-(aminomethyl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine

C25H32N6 — CID 46900230

IUPAC4-[1-[4-(aminomethyl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine
SMILESNCC1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C25H32N6/c26-16-18-8-12-31(13-9-18)25-22-7-10-27-17-20(22)14-23(30-25)19-6-11-28-24(15-19)29-21-4-2-1-3-5-21/h6-7,10-11,14-15,17-18,21H,1-5,8-9,12-13,16,26H2,(H,28,29)
InChIKeyQWNXSMLOHRKBQW-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.61
Rot. Bonds5

About 4-[1-[4-(aminomethyl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine

4-[1-[4-(aminomethyl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine (PubChem CID 46900230) has the molecular formula C25H32N6 and a molecular weight of 416.57 g/mol. Its IUPAC name is 4-[1-[4-(aminomethyl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine.

Molecular Properties

Compound Name4-[1-[4-(aminomethyl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine
PubChem CID46900230
Molecular FormulaC25H32N6
Molecular Weight416.57 g/mol
Exact Mass416.27
IUPAC Name4-[1-[4-(aminomethyl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine
SMILESNCC1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C25H32N6/c26-16-18-8-12-31(13-9-18)25-22-7-10-27-17-20(22)14-23(30-25)19-6-11-28-24(15-19)29-21-4-2-1-3-5-21/h6-7,10-11,14-15,17-18,21H,1-5,8-9,12-13,16,26H2,(H,28,29)
InChIKeyQWNXSMLOHRKBQW-UHFFFAOYSA-N
XLogP4.61
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(aminomethyl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine?
The IUPAC name of 4-[1-[4-(aminomethyl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine (CID 46900230) is 4-[1-[4-(aminomethyl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine.
What is the SMILES notation for 4-[1-[4-(aminomethyl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine?
The canonical SMILES for 4-[1-[4-(aminomethyl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine is NCC1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1.
What is the InChIKey of 4-[1-[4-(aminomethyl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine?
The InChIKey is QWNXSMLOHRKBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6/c26-16-18-8-12-31(13-9-18)25-22-7-10-27-17-20(22)14-23(30-25)19-6-11-28-24(15-19)29-21-4-2-1-3-5-21/h6-7,10-11,14-15,17-18,21H,1-5,8-9,12-13,16,26H2,(H,28,29).
What are the key properties of 4-[1-[4-(aminomethyl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine?
4-[1-[4-(aminomethyl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine has a molecular weight of 416.57 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(aminomethyl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine is sourced from PubChem (CID 46900230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).