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

C21H26N4O2 — CID 70286934

IUPAC7-[[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]methyl]-3,4-dihydro-1H-1,6-naphthyridin-2-one
SMILESO=C1CCc2cnc(CNc3ccc(N4CCCC(CO)C4)cc3)cc2N1
InChIInChI=1S/C21H26N4O2/c26-14-15-2-1-9-25(13-15)19-6-4-17(5-7-19)23-12-18-10-20-16(11-22-18)3-8-21(27)24-20/h4-7,10-11,15,23,26H,1-3,8-9,12-14H2,(H,24,27)
InChIKeyCOLSMNMVFLJFCD-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.79
Rot. Bonds5

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

7-[[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]methyl]-3,4-dihydro-1H-1,6-naphthyridin-2-one (PubChem CID 70286934) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 7-[[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]methyl]-3,4-dihydro-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-[[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]methyl]-3,4-dihydro-1H-1,6-naphthyridin-2-one
PubChem CID70286934
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name7-[[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]methyl]-3,4-dihydro-1H-1,6-naphthyridin-2-one
SMILESO=C1CCc2cnc(CNc3ccc(N4CCCC(CO)C4)cc3)cc2N1
InChIInChI=1S/C21H26N4O2/c26-14-15-2-1-9-25(13-15)19-6-4-17(5-7-19)23-12-18-10-20-16(11-22-18)3-8-21(27)24-20/h4-7,10-11,15,23,26H,1-3,8-9,12-14H2,(H,24,27)
InChIKeyCOLSMNMVFLJFCD-UHFFFAOYSA-N
XLogP2.79
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.79
H-Bond Donors ≤ 53
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-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-3,4-dihydro-1,6-naphthyridin-2-one
CID 22124769
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
4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]benzoic acid
CID 94373344
[1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperidin-3-yl]methanol
CID 103937018
[1-(4-ethylsulfonylphenyl)piperidin-3-yl]methanol
CID 61147641
[1-[5-(hydroxymethyl)pyrazin-2-yl]piperidin-3-yl]methanol
CID 107372633
ethane;[1-(4-nitrophenyl)piperidin-3-yl]methanol
CID 144806851
2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol
CID 107227098
[1-[4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol
CID 43590379
2-(2,6-dioxopiperidin-3-yl)-5-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]isoindole-1,3-dione
CID 146485030
3-[5-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 166069947

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]methyl]-3,4-dihydro-1H-1,6-naphthyridin-2-one?
The IUPAC name of 7-[[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]methyl]-3,4-dihydro-1H-1,6-naphthyridin-2-one (CID 70286934) is 7-[[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]methyl]-3,4-dihydro-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-[[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]methyl]-3,4-dihydro-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 7-[[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]methyl]-3,4-dihydro-1H-1,6-naphthyridin-2-one is O=C1CCc2cnc(CNc3ccc(N4CCCC(CO)C4)cc3)cc2N1.
What is the InChIKey of 7-[[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]methyl]-3,4-dihydro-1H-1,6-naphthyridin-2-one?
The InChIKey is COLSMNMVFLJFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-14-15-2-1-9-25(13-15)19-6-4-17(5-7-19)23-12-18-10-20-16(11-22-18)3-8-21(27)24-20/h4-7,10-11,15,23,26H,1-3,8-9,12-14H2,(H,24,27).
What are the key properties of 7-[[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]methyl]-3,4-dihydro-1H-1,6-naphthyridin-2-one?
7-[[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]methyl]-3,4-dihydro-1H-1,6-naphthyridin-2-one has a molecular weight of 366.47 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]methyl]-3,4-dihydro-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 70286934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).