1-propan-2-yl-7-(4-pyrrolidin-1-ylanilino)-1,6-naphthyridin-2-one

C21H24N4O — CID 22124675

IUPAC1-propan-2-yl-7-(4-pyrrolidin-1-ylanilino)-1,6-naphthyridin-2-one
SMILESCC(C)n1c(=O)ccc2cnc(Nc3ccc(N4CCCC4)cc3)cc21
InChIInChI=1S/C21H24N4O/c1-15(2)25-19-13-20(22-14-16(19)5-10-21(25)26)23-17-6-8-18(9-7-17)24-11-3-4-12-24/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,22,23)
InChIKeySQLAJDQDOBOIFV-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.32
Rot. Bonds4

About 1-propan-2-yl-7-(4-pyrrolidin-1-ylanilino)-1,6-naphthyridin-2-one

1-propan-2-yl-7-(4-pyrrolidin-1-ylanilino)-1,6-naphthyridin-2-one (PubChem CID 22124675) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-propan-2-yl-7-(4-pyrrolidin-1-ylanilino)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-7-(4-pyrrolidin-1-ylanilino)-1,6-naphthyridin-2-one
PubChem CID22124675
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-propan-2-yl-7-(4-pyrrolidin-1-ylanilino)-1,6-naphthyridin-2-one
SMILESCC(C)n1c(=O)ccc2cnc(Nc3ccc(N4CCCC4)cc3)cc21
InChIInChI=1S/C21H24N4O/c1-15(2)25-19-13-20(22-14-16(19)5-10-21(25)26)23-17-6-8-18(9-7-17)24-11-3-4-12-24/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,22,23)
InChIKeySQLAJDQDOBOIFV-UHFFFAOYSA-N
XLogP4.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-propan-2-yl-1,6-naphthyridin-2-one
CID 22124851
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-7-(4-morpholin-4-ylanilino)-1,6-naphthyridin-2-one
CID 46701508
1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one
CID 22124798
8-hex-3-yn-2-yl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18374890
8-benzhydryl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18374944
2-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propanamide
CID 113021041
7-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1-methylpyrido[4,3-d]pyrimidin-2-one
CID 70209396
8-[bis(4-fluorophenyl)methyl]-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375050
2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine
CID 63179146
1-cyclopentyl-7-(4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-one
CID 22124690

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-7-(4-pyrrolidin-1-ylanilino)-1,6-naphthyridin-2-one?
The IUPAC name of 1-propan-2-yl-7-(4-pyrrolidin-1-ylanilino)-1,6-naphthyridin-2-one (CID 22124675) is 1-propan-2-yl-7-(4-pyrrolidin-1-ylanilino)-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-propan-2-yl-7-(4-pyrrolidin-1-ylanilino)-1,6-naphthyridin-2-one?
The canonical SMILES for 1-propan-2-yl-7-(4-pyrrolidin-1-ylanilino)-1,6-naphthyridin-2-one is CC(C)n1c(=O)ccc2cnc(Nc3ccc(N4CCCC4)cc3)cc21.
What is the InChIKey of 1-propan-2-yl-7-(4-pyrrolidin-1-ylanilino)-1,6-naphthyridin-2-one?
The InChIKey is SQLAJDQDOBOIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15(2)25-19-13-20(22-14-16(19)5-10-21(25)26)23-17-6-8-18(9-7-17)24-11-3-4-12-24/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,22,23).
What are the key properties of 1-propan-2-yl-7-(4-pyrrolidin-1-ylanilino)-1,6-naphthyridin-2-one?
1-propan-2-yl-7-(4-pyrrolidin-1-ylanilino)-1,6-naphthyridin-2-one has a molecular weight of 348.45 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-7-(4-pyrrolidin-1-ylanilino)-1,6-naphthyridin-2-one is sourced from PubChem (CID 22124675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).