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

C23H28N6 — CID 25020309

IUPAC4-[1-(3-aminopyrrolidin-1-yl)-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine
SMILESNC1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)C1
InChIInChI=1S/C23H28N6/c24-18-8-11-29(15-18)23-20-7-9-25-14-17(20)12-21(28-23)16-6-10-26-22(13-16)27-19-4-2-1-3-5-19/h6-7,9-10,12-14,18-19H,1-5,8,11,15,24H2,(H,26,27)
InChIKeyKYGRPJRQODLWCC-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.97
Rot. Bonds4

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

4-[1-(3-aminopyrrolidin-1-yl)-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine (PubChem CID 25020309) has the molecular formula C23H28N6 and a molecular weight of 388.52 g/mol. Its IUPAC name is 4-[1-(3-aminopyrrolidin-1-yl)-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine.

Molecular Properties

Compound Name4-[1-(3-aminopyrrolidin-1-yl)-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine
PubChem CID25020309
Molecular FormulaC23H28N6
Molecular Weight388.52 g/mol
Exact Mass388.24
IUPAC Name4-[1-(3-aminopyrrolidin-1-yl)-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine
SMILESNC1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)C1
InChIInChI=1S/C23H28N6/c24-18-8-11-29(15-18)23-20-7-9-25-14-17(20)12-21(28-23)16-6-10-26-22(13-16)27-19-4-2-1-3-5-19/h6-7,9-10,12-14,18-19H,1-5,8,11,15,24H2,(H,26,27)
InChIKeyKYGRPJRQODLWCC-UHFFFAOYSA-N
XLogP3.97
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-aminopyrrolidin-1-yl)-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine?
The IUPAC name of 4-[1-(3-aminopyrrolidin-1-yl)-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine (CID 25020309) is 4-[1-(3-aminopyrrolidin-1-yl)-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine.
What is the SMILES notation for 4-[1-(3-aminopyrrolidin-1-yl)-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine?
The canonical SMILES for 4-[1-(3-aminopyrrolidin-1-yl)-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine is NC1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)C1.
What is the InChIKey of 4-[1-(3-aminopyrrolidin-1-yl)-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine?
The InChIKey is KYGRPJRQODLWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6/c24-18-8-11-29(15-18)23-20-7-9-25-14-17(20)12-21(28-23)16-6-10-26-22(13-16)27-19-4-2-1-3-5-19/h6-7,9-10,12-14,18-19H,1-5,8,11,15,24H2,(H,26,27).
What are the key properties of 4-[1-(3-aminopyrrolidin-1-yl)-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine?
4-[1-(3-aminopyrrolidin-1-yl)-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine has a molecular weight of 388.52 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-aminopyrrolidin-1-yl)-2,6-naphthyridin-3-yl]-N-cyclohexylpyridin-2-amine is sourced from PubChem (CID 25020309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).