1-cyclopentyl-7-(4-piperidin-1-ylanilino)-3,4-dihydro-1,6-naphthyridin-2-one

C24H30N4O — CID 22124742

IUPAC1-cyclopentyl-7-(4-piperidin-1-ylanilino)-3,4-dihydro-1,6-naphthyridin-2-one
SMILESO=C1CCc2cnc(Nc3ccc(N4CCCCC4)cc3)cc2N1C1CCCC1
InChIInChI=1S/C24H30N4O/c29-24-13-8-18-17-25-23(16-22(18)28(24)21-6-2-3-7-21)26-19-9-11-20(12-10-19)27-14-4-1-5-15-27/h9-12,16-17,21H,1-8,13-15H2,(H,25,26)
InChIKeyZWQWJCRXPKLHKH-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.04
Rot. Bonds4

About 1-cyclopentyl-7-(4-piperidin-1-ylanilino)-3,4-dihydro-1,6-naphthyridin-2-one

1-cyclopentyl-7-(4-piperidin-1-ylanilino)-3,4-dihydro-1,6-naphthyridin-2-one (PubChem CID 22124742) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-cyclopentyl-7-(4-piperidin-1-ylanilino)-3,4-dihydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-7-(4-piperidin-1-ylanilino)-3,4-dihydro-1,6-naphthyridin-2-one
PubChem CID22124742
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name1-cyclopentyl-7-(4-piperidin-1-ylanilino)-3,4-dihydro-1,6-naphthyridin-2-one
SMILESO=C1CCc2cnc(Nc3ccc(N4CCCCC4)cc3)cc2N1C1CCCC1
InChIInChI=1S/C24H30N4O/c29-24-13-8-18-17-25-23(16-22(18)28(24)21-6-2-3-7-21)26-19-9-11-20(12-10-19)27-14-4-1-5-15-27/h9-12,16-17,21H,1-8,13-15H2,(H,25,26)
InChIKeyZWQWJCRXPKLHKH-UHFFFAOYSA-N
XLogP5.04
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-methyl-3,4-dihydro-1,6-naphthyridin-2-one
CID 22124813
1-(2-bicyclo[2.2.1]heptanyl)-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-3,4-dihydro-1,6-naphthyridin-2-one
CID 22124737
1-cyclohexyl-N-(4-pyrrolidin-1-ylphenyl)-2H-1,6-naphthyridin-7-amine
CID 154449672
1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-3,4-dihydro-1,6-naphthyridin-2-one
CID 22124769
1-cyclopentyl-7-(4-morpholin-4-ylanilino)-1,6-naphthyridin-2-one
CID 46701508
1-methyl-7-(4-piperidin-1-ylanilino)-1,6-naphthyridin-2-one
CID 22124727
1-cyclobutyl-7-[4-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one
CID 46701507
1-cyclopentyl-3-fluoro-7-[4-(4-hydroxypiperidin-1-yl)anilino]-1,6-naphthyridin-2-one
CID 22124688
2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine
CID 63179146
4-N-cycloheptyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine
CID 112863913
1-propan-2-yl-7-(4-pyrrolidin-1-ylanilino)-1,6-naphthyridin-2-one
CID 22124675
piperidin-1-yl-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109152366

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-7-(4-piperidin-1-ylanilino)-3,4-dihydro-1,6-naphthyridin-2-one?
The IUPAC name of 1-cyclopentyl-7-(4-piperidin-1-ylanilino)-3,4-dihydro-1,6-naphthyridin-2-one (CID 22124742) is 1-cyclopentyl-7-(4-piperidin-1-ylanilino)-3,4-dihydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-cyclopentyl-7-(4-piperidin-1-ylanilino)-3,4-dihydro-1,6-naphthyridin-2-one?
The canonical SMILES for 1-cyclopentyl-7-(4-piperidin-1-ylanilino)-3,4-dihydro-1,6-naphthyridin-2-one is O=C1CCc2cnc(Nc3ccc(N4CCCCC4)cc3)cc2N1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-7-(4-piperidin-1-ylanilino)-3,4-dihydro-1,6-naphthyridin-2-one?
The InChIKey is ZWQWJCRXPKLHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c29-24-13-8-18-17-25-23(16-22(18)28(24)21-6-2-3-7-21)26-19-9-11-20(12-10-19)27-14-4-1-5-15-27/h9-12,16-17,21H,1-8,13-15H2,(H,25,26).
What are the key properties of 1-cyclopentyl-7-(4-piperidin-1-ylanilino)-3,4-dihydro-1,6-naphthyridin-2-one?
1-cyclopentyl-7-(4-piperidin-1-ylanilino)-3,4-dihydro-1,6-naphthyridin-2-one has a molecular weight of 390.53 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-7-(4-piperidin-1-ylanilino)-3,4-dihydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 22124742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).