7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-methyl-3,4-dihydro-1,6-naphthyridin-2-one

C20H24N4O2 — CID 22124813

IUPAC7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-methyl-3,4-dihydro-1,6-naphthyridin-2-one
SMILESCN1C(=O)CCc2cnc(Nc3ccc(N4CCC(O)CC4)cc3)cc21
InChIInChI=1S/C20H24N4O2/c1-23-18-12-19(21-13-14(18)2-7-20(23)26)22-15-3-5-16(6-4-15)24-10-8-17(25)9-11-24/h3-6,12-13,17,25H,2,7-11H2,1H3,(H,21,22)
InChIKeyKUHVVANJAARADZ-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.70
Rot. Bonds3

About 7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-methyl-3,4-dihydro-1,6-naphthyridin-2-one

7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-methyl-3,4-dihydro-1,6-naphthyridin-2-one (PubChem CID 22124813) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-methyl-3,4-dihydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-methyl-3,4-dihydro-1,6-naphthyridin-2-one
PubChem CID22124813
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-methyl-3,4-dihydro-1,6-naphthyridin-2-one
SMILESCN1C(=O)CCc2cnc(Nc3ccc(N4CCC(O)CC4)cc3)cc21
InChIInChI=1S/C20H24N4O2/c1-23-18-12-19(21-13-14(18)2-7-20(23)26)22-15-3-5-16(6-4-15)24-10-8-17(25)9-11-24/h3-6,12-13,17,25H,2,7-11H2,1H3,(H,21,22)
InChIKeyKUHVVANJAARADZ-UHFFFAOYSA-N
XLogP2.70
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
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-cyclopentyl-7-(4-piperidin-1-ylanilino)-3,4-dihydro-1,6-naphthyridin-2-one
CID 22124742
1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-3,4-dihydro-1,6-naphthyridin-2-one
CID 22124769
1-methyl-6-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-3,4-dihydroquinolin-2-one
CID 167300242
7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-propan-2-yl-1,6-naphthyridin-2-one
CID 22124851
N-[6-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]-3-pyridinyl]-1-methylpyrrole-3-carboxamide
CID 67113163
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
N-[6-[4-[4-(4-hydroxypiperidin-1-yl)anilino]anilino]-3-pyridinyl]-1-methylpyrrole-3-carboxamide
CID 67113161
1-cyclopentyl-3-fluoro-7-[4-(4-hydroxypiperidin-1-yl)anilino]-1,6-naphthyridin-2-one
CID 22124688
7-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1-methylpyrido[4,3-d]pyrimidin-2-one
CID 70209396
1-[4-(pyrimidin-2-ylamino)phenyl]piperidin-4-ol
CID 123614324
6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 166204131
1-cyclobutyl-7-[4-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one
CID 46701507

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-methyl-3,4-dihydro-1,6-naphthyridin-2-one?
The IUPAC name of 7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-methyl-3,4-dihydro-1,6-naphthyridin-2-one (CID 22124813) is 7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-methyl-3,4-dihydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-methyl-3,4-dihydro-1,6-naphthyridin-2-one?
The canonical SMILES for 7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-methyl-3,4-dihydro-1,6-naphthyridin-2-one is CN1C(=O)CCc2cnc(Nc3ccc(N4CCC(O)CC4)cc3)cc21.
What is the InChIKey of 7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-methyl-3,4-dihydro-1,6-naphthyridin-2-one?
The InChIKey is KUHVVANJAARADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-23-18-12-19(21-13-14(18)2-7-20(23)26)22-15-3-5-16(6-4-15)24-10-8-17(25)9-11-24/h3-6,12-13,17,25H,2,7-11H2,1H3,(H,21,22).
What are the key properties of 7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-methyl-3,4-dihydro-1,6-naphthyridin-2-one?
7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-methyl-3,4-dihydro-1,6-naphthyridin-2-one has a molecular weight of 352.44 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-methyl-3,4-dihydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 22124813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).