1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-3,4-dihydro-1,6-naphthyridin-2-one

C22H28N4O2 — CID 22124769

IUPAC1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-3,4-dihydro-1,6-naphthyridin-2-one
SMILESCCN1C(=O)CCc2cnc(Nc3ccc(N4CCCC(CO)C4)cc3)cc21
InChIInChI=1S/C22H28N4O2/c1-2-26-20-12-21(23-13-17(20)5-10-22(26)28)24-18-6-8-19(9-7-18)25-11-3-4-16(14-25)15-27/h6-9,12-13,16,27H,2-5,10-11,14-15H2,1H3,(H,23,24)
InChIKeyUBVOCXWTYOMFAN-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.33
Rot. Bonds5

About 1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-3,4-dihydro-1,6-naphthyridin-2-one

1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-3,4-dihydro-1,6-naphthyridin-2-one (PubChem CID 22124769) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-3,4-dihydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-3,4-dihydro-1,6-naphthyridin-2-one
PubChem CID22124769
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-3,4-dihydro-1,6-naphthyridin-2-one
SMILESCCN1C(=O)CCc2cnc(Nc3ccc(N4CCCC(CO)C4)cc3)cc21
InChIInChI=1S/C22H28N4O2/c1-2-26-20-12-21(23-13-17(20)5-10-22(26)28)24-18-6-8-19(9-7-18)25-11-3-4-16(14-25)15-27/h6-9,12-13,16,27H,2-5,10-11,14-15H2,1H3,(H,23,24)
InChIKeyUBVOCXWTYOMFAN-UHFFFAOYSA-N
XLogP3.33
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.33
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-(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-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one
CID 22124798
7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-methyl-3,4-dihydro-1,6-naphthyridin-2-one
CID 22124813
1-cyclopentyl-7-(4-piperidin-1-ylanilino)-3,4-dihydro-1,6-naphthyridin-2-one
CID 22124742
7-[[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]methyl]-3,4-dihydro-1H-1,6-naphthyridin-2-one
CID 70286934
[1-(4-ethylsulfonylphenyl)piperidin-3-yl]methanol
CID 61147641
4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]benzoic acid
CID 94373344
6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one
CID 133459397
[1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperidin-3-yl]methanol
CID 103937018
1-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122089857
[1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-3-yl]methanol
CID 43590380
ethane;[1-(4-nitrophenyl)piperidin-3-yl]methanol
CID 144806851

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-3,4-dihydro-1,6-naphthyridin-2-one?
The IUPAC name of 1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-3,4-dihydro-1,6-naphthyridin-2-one (CID 22124769) is 1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-3,4-dihydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-3,4-dihydro-1,6-naphthyridin-2-one?
The canonical SMILES for 1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-3,4-dihydro-1,6-naphthyridin-2-one is CCN1C(=O)CCc2cnc(Nc3ccc(N4CCCC(CO)C4)cc3)cc21.
What is the InChIKey of 1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-3,4-dihydro-1,6-naphthyridin-2-one?
The InChIKey is UBVOCXWTYOMFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-2-26-20-12-21(23-13-17(20)5-10-22(26)28)24-18-6-8-19(9-7-18)25-11-3-4-16(14-25)15-27/h6-9,12-13,16,27H,2-5,10-11,14-15H2,1H3,(H,23,24).
What are the key properties of 1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-3,4-dihydro-1,6-naphthyridin-2-one?
1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-3,4-dihydro-1,6-naphthyridin-2-one has a molecular weight of 380.49 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-3,4-dihydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 22124769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).