6-(butylamino)-4-cyclohexyl-2-piperidin-4-yl-2,7-naphthyridin-1-one

C23H34N4O — CID 142517871

IUPAC6-(butylamino)-4-cyclohexyl-2-piperidin-4-yl-2,7-naphthyridin-1-one
SMILESCCCCNc1cc2c(C3CCCCC3)cn(C3CCNCC3)c(=O)c2cn1
InChIInChI=1S/C23H34N4O/c1-2-3-11-25-22-14-19-20(15-26-22)23(28)27(18-9-12-24-13-10-18)16-21(19)17-7-5-4-6-8-17/h14-18,24H,2-13H2,1H3,(H,25,26)
InChIKeyYAKNCYDESNDMGQ-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.58
Rot. Bonds6

About 6-(butylamino)-4-cyclohexyl-2-piperidin-4-yl-2,7-naphthyridin-1-one

6-(butylamino)-4-cyclohexyl-2-piperidin-4-yl-2,7-naphthyridin-1-one (PubChem CID 142517871) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is 6-(butylamino)-4-cyclohexyl-2-piperidin-4-yl-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(butylamino)-4-cyclohexyl-2-piperidin-4-yl-2,7-naphthyridin-1-one
PubChem CID142517871
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Name6-(butylamino)-4-cyclohexyl-2-piperidin-4-yl-2,7-naphthyridin-1-one
SMILESCCCCNc1cc2c(C3CCCCC3)cn(C3CCNCC3)c(=O)c2cn1
InChIInChI=1S/C23H34N4O/c1-2-3-11-25-22-14-19-20(15-26-22)23(28)27(18-9-12-24-13-10-18)16-21(19)17-7-5-4-6-8-17/h14-18,24H,2-13H2,1H3,(H,25,26)
InChIKeyYAKNCYDESNDMGQ-UHFFFAOYSA-N
XLogP4.58
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-4-cyclohexyl-2-piperidin-4-yl-2,7-naphthyridin-1-one?
The IUPAC name of 6-(butylamino)-4-cyclohexyl-2-piperidin-4-yl-2,7-naphthyridin-1-one (CID 142517871) is 6-(butylamino)-4-cyclohexyl-2-piperidin-4-yl-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(butylamino)-4-cyclohexyl-2-piperidin-4-yl-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(butylamino)-4-cyclohexyl-2-piperidin-4-yl-2,7-naphthyridin-1-one is CCCCNc1cc2c(C3CCCCC3)cn(C3CCNCC3)c(=O)c2cn1.
What is the InChIKey of 6-(butylamino)-4-cyclohexyl-2-piperidin-4-yl-2,7-naphthyridin-1-one?
The InChIKey is YAKNCYDESNDMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c1-2-3-11-25-22-14-19-20(15-26-22)23(28)27(18-9-12-24-13-10-18)16-21(19)17-7-5-4-6-8-17/h14-18,24H,2-13H2,1H3,(H,25,26).
What are the key properties of 6-(butylamino)-4-cyclohexyl-2-piperidin-4-yl-2,7-naphthyridin-1-one?
6-(butylamino)-4-cyclohexyl-2-piperidin-4-yl-2,7-naphthyridin-1-one has a molecular weight of 382.55 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-4-cyclohexyl-2-piperidin-4-yl-2,7-naphthyridin-1-one is sourced from PubChem (CID 142517871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).