1-ethyl-7-[(5-hydroxy-2-pyridinyl)amino]-3-phenyl-1,6-naphthyridin-2-one

C21H18N4O2 — CID 118271277

IUPAC1-ethyl-7-[(5-hydroxy-2-pyridinyl)amino]-3-phenyl-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccc(O)cn3)cc21
InChIInChI=1S/C21H18N4O2/c1-2-25-18-11-20(24-19-9-8-16(26)13-23-19)22-12-15(18)10-17(21(25)27)14-6-4-3-5-7-14/h3-13,26H,2H2,1H3,(H,22,23,24)
InChIKeyNVTDZAFTCNOHHZ-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.93
Rot. Bonds4

About 1-ethyl-7-[(5-hydroxy-2-pyridinyl)amino]-3-phenyl-1,6-naphthyridin-2-one

1-ethyl-7-[(5-hydroxy-2-pyridinyl)amino]-3-phenyl-1,6-naphthyridin-2-one (PubChem CID 118271277) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-ethyl-7-[(5-hydroxy-2-pyridinyl)amino]-3-phenyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-ethyl-7-[(5-hydroxy-2-pyridinyl)amino]-3-phenyl-1,6-naphthyridin-2-one
PubChem CID118271277
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name1-ethyl-7-[(5-hydroxy-2-pyridinyl)amino]-3-phenyl-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccc(O)cn3)cc21
InChIInChI=1S/C21H18N4O2/c1-2-25-18-11-20(24-19-9-8-16(26)13-23-19)22-12-15(18)10-17(21(25)27)14-6-4-3-5-7-14/h3-13,26H,2H2,1H3,(H,22,23,24)
InChIKeyNVTDZAFTCNOHHZ-UHFFFAOYSA-N
XLogP3.93
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-[(5-hydroxy-2-pyridinyl)amino]-3-phenyl-1,6-naphthyridin-2-one?
The IUPAC name of 1-ethyl-7-[(5-hydroxy-2-pyridinyl)amino]-3-phenyl-1,6-naphthyridin-2-one (CID 118271277) is 1-ethyl-7-[(5-hydroxy-2-pyridinyl)amino]-3-phenyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-ethyl-7-[(5-hydroxy-2-pyridinyl)amino]-3-phenyl-1,6-naphthyridin-2-one?
The canonical SMILES for 1-ethyl-7-[(5-hydroxy-2-pyridinyl)amino]-3-phenyl-1,6-naphthyridin-2-one is CCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccc(O)cn3)cc21.
What is the InChIKey of 1-ethyl-7-[(5-hydroxy-2-pyridinyl)amino]-3-phenyl-1,6-naphthyridin-2-one?
The InChIKey is NVTDZAFTCNOHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-2-25-18-11-20(24-19-9-8-16(26)13-23-19)22-12-15(18)10-17(21(25)27)14-6-4-3-5-7-14/h3-13,26H,2H2,1H3,(H,22,23,24).
What are the key properties of 1-ethyl-7-[(5-hydroxy-2-pyridinyl)amino]-3-phenyl-1,6-naphthyridin-2-one?
1-ethyl-7-[(5-hydroxy-2-pyridinyl)amino]-3-phenyl-1,6-naphthyridin-2-one has a molecular weight of 358.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-[(5-hydroxy-2-pyridinyl)amino]-3-phenyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 118271277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).