1-methyl-7-(4-piperidin-1-ylanilino)-1,6-naphthyridin-2-one

C20H22N4O — CID 22124727

IUPAC1-methyl-7-(4-piperidin-1-ylanilino)-1,6-naphthyridin-2-one
SMILESCn1c(=O)ccc2cnc(Nc3ccc(N4CCCCC4)cc3)cc21
InChIInChI=1S/C20H22N4O/c1-23-18-13-19(21-14-15(18)5-10-20(23)25)22-16-6-8-17(9-7-16)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3,(H,21,22)
InChIKeyBEZNNJBSFHIOOA-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.67
Rot. Bonds3

About 1-methyl-7-(4-piperidin-1-ylanilino)-1,6-naphthyridin-2-one

1-methyl-7-(4-piperidin-1-ylanilino)-1,6-naphthyridin-2-one (PubChem CID 22124727) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-methyl-7-(4-piperidin-1-ylanilino)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-methyl-7-(4-piperidin-1-ylanilino)-1,6-naphthyridin-2-one
PubChem CID22124727
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-methyl-7-(4-piperidin-1-ylanilino)-1,6-naphthyridin-2-one
SMILESCn1c(=O)ccc2cnc(Nc3ccc(N4CCCCC4)cc3)cc21
InChIInChI=1S/C20H22N4O/c1-23-18-13-19(21-14-15(18)5-10-20(23)25)22-16-6-8-17(9-7-16)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3,(H,21,22)
InChIKeyBEZNNJBSFHIOOA-UHFFFAOYSA-N
XLogP3.67
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.67
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

1-propan-2-yl-7-(4-pyrrolidin-1-ylanilino)-1,6-naphthyridin-2-one
CID 22124675
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
7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-propan-2-yl-1,6-naphthyridin-2-one
CID 22124851
7-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1-methylpyrido[4,3-d]pyrimidin-2-one
CID 70209396
1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one
CID 22124798
3-(2,6-dichlorophenyl)-7-[4-(1,1-dioxo-1,4-thiazinan-4-yl)anilino]-1-methyl-1,6-naphthyridin-2-one
CID 167119046
3-(2-chlorophenyl)-1-methyl-7-(3-piperidin-1-ylanilino)-1,6-naphthyridin-2-one
CID 165057275
2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine
CID 63179146
7-[4-(4-methylpiperazin-1-yl)anilino]-1-(pyridin-4-ylmethyl)pyrido[4,3-d]pyrimidin-2-one
CID 68859807
piperidin-1-yl-[2-(4-pyrrolidin-1-ylanilino)-4-pyridinyl]methanone
CID 109166180
1-cyclopentyl-7-(4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-one
CID 22124690

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(4-piperidin-1-ylanilino)-1,6-naphthyridin-2-one?
The IUPAC name of 1-methyl-7-(4-piperidin-1-ylanilino)-1,6-naphthyridin-2-one (CID 22124727) is 1-methyl-7-(4-piperidin-1-ylanilino)-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-methyl-7-(4-piperidin-1-ylanilino)-1,6-naphthyridin-2-one?
The canonical SMILES for 1-methyl-7-(4-piperidin-1-ylanilino)-1,6-naphthyridin-2-one is Cn1c(=O)ccc2cnc(Nc3ccc(N4CCCCC4)cc3)cc21.
What is the InChIKey of 1-methyl-7-(4-piperidin-1-ylanilino)-1,6-naphthyridin-2-one?
The InChIKey is BEZNNJBSFHIOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-23-18-13-19(21-14-15(18)5-10-20(23)25)22-16-6-8-17(9-7-16)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3,(H,21,22).
What are the key properties of 1-methyl-7-(4-piperidin-1-ylanilino)-1,6-naphthyridin-2-one?
1-methyl-7-(4-piperidin-1-ylanilino)-1,6-naphthyridin-2-one has a molecular weight of 334.42 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(4-piperidin-1-ylanilino)-1,6-naphthyridin-2-one is sourced from PubChem (CID 22124727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).