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

C22H26N4O2 — CID 22124798

IUPAC1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccc(N4CCCC(CO)C4)cc3)cc21
InChIInChI=1S/C22H26N4O2/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/h5-10,12-13,16,27H,2-4,11,14-15H2,1H3,(H,23,24)
InChIKeyREQRETKAWMLPCT-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.37
Rot. Bonds5

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

1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one (PubChem CID 22124798) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one
PubChem CID22124798
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccc(N4CCCC(CO)C4)cc3)cc21
InChIInChI=1S/C22H26N4O2/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/h5-10,12-13,16,27H,2-4,11,14-15H2,1H3,(H,23,24)
InChIKeyREQRETKAWMLPCT-UHFFFAOYSA-N
XLogP3.37
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

PD-0183812
CID 5330258
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 34
CID 5330220
8-Ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330223
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 66
CID 5330252
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 71
CID 5330257
Pyrido[2,3-d]pyrimidin-7-one 8
CID 5330336
Pyrido[2,3-d]pyrimidin-7-one 9
CID 5330337
Pyrido[2,3-d]pyrimidin-7-one 13
CID 5330340
Pyrido[2,3-d]pyrimidin-7-one 15
CID 5330342
Pyrido[2,3-d]pyrimidin-7-one 16
CID 5330343
Pyrido[2,3-d]pyrimidin-7-one 18
CID 5330345
Pyrido[2,3-d]pyrimidin-7-one 21
CID 5330348

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one?
The IUPAC name of 1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one (CID 22124798) is 1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one?
The canonical SMILES for 1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-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]-1,6-naphthyridin-2-one?
The InChIKey is REQRETKAWMLPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/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/h5-10,12-13,16,27H,2-4,11,14-15H2,1H3,(H,23,24).
What are the key properties of 1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one?
1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one has a molecular weight of 378.48 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one is sourced from PubChem (CID 22124798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).