1-ethyl-7-(methylamino)-3-penta-2,4-dien-2-yl-1,6-naphthyridin-2-one

C16H19N3O — CID 123476129

IUPAC1-ethyl-7-(methylamino)-3-penta-2,4-dien-2-yl-1,6-naphthyridin-2-one
SMILESC=CC=C(C)c1cc2cnc(NC)cc2n(CC)c1=O
InChIInChI=1S/C16H19N3O/c1-5-7-11(3)13-8-12-10-18-15(17-4)9-14(12)19(6-2)16(13)20/h5,7-10H,1,6H2,2-4H3,(H,17,18)
InChIKeyPWBMKEYYLZMTLG-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.05
Rot. Bonds4

About 1-ethyl-7-(methylamino)-3-penta-2,4-dien-2-yl-1,6-naphthyridin-2-one

1-ethyl-7-(methylamino)-3-penta-2,4-dien-2-yl-1,6-naphthyridin-2-one (PubChem CID 123476129) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-ethyl-7-(methylamino)-3-penta-2,4-dien-2-yl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-ethyl-7-(methylamino)-3-penta-2,4-dien-2-yl-1,6-naphthyridin-2-one
PubChem CID123476129
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-ethyl-7-(methylamino)-3-penta-2,4-dien-2-yl-1,6-naphthyridin-2-one
SMILESC=CC=C(C)c1cc2cnc(NC)cc2n(CC)c1=O
InChIInChI=1S/C16H19N3O/c1-5-7-11(3)13-8-12-10-18-15(17-4)9-14(12)19(6-2)16(13)20/h5,7-10H,1,6H2,2-4H3,(H,17,18)
InChIKeyPWBMKEYYLZMTLG-UHFFFAOYSA-N
XLogP3.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one
CID 141205535
3-[2-chloro-4-fluoro-5-(methylideneamino)phenyl]-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one
CID 155198193
3-(3,3-dimethylbut-1-ynyl)-1-ethyl-7-[(5-methyl-2-pyridinyl)amino]-1,6-naphthyridin-2-one
CID 118400001
1-ethyl-7-[(5-methyl-2-pyridinyl)amino]-3-(3-trimethylsilylprop-1-ynyl)-1,6-naphthyridin-2-one
CID 123464495
N-[1-cyclopropyl-3-[(E)-1-(methylamino)prop-1-en-2-yl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
CID 171556368
1-ethyl-7-[[5-(3-hydroxypropyl)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one
CID 159307659
ethyl (E)-3-[1-ethyl-7-[(5-methyl-2-pyridinyl)amino]-2-oxo-1,6-naphthyridin-3-yl]prop-2-enoate;1-ethyl-3-iodo-7-[(5-methyl-2-pyridinyl)amino]-1,6-naphthyridin-2-one;ethyl prop-2-enoate
CID 159090831
3-(2,6-difluorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one
CID 118400003
1-[5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea
CID 68983439
1-[4-chloro-5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluorophenyl]-3-(3-fluoro-5-methylphenyl)-1-methylurea
CID 118496540
1-(1-tert-butylpyrazol-4-yl)-3-[5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]urea
CID 69297436
6-bromo-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 166831391

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-(methylamino)-3-penta-2,4-dien-2-yl-1,6-naphthyridin-2-one?
The IUPAC name of 1-ethyl-7-(methylamino)-3-penta-2,4-dien-2-yl-1,6-naphthyridin-2-one (CID 123476129) is 1-ethyl-7-(methylamino)-3-penta-2,4-dien-2-yl-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-ethyl-7-(methylamino)-3-penta-2,4-dien-2-yl-1,6-naphthyridin-2-one?
The canonical SMILES for 1-ethyl-7-(methylamino)-3-penta-2,4-dien-2-yl-1,6-naphthyridin-2-one is C=CC=C(C)c1cc2cnc(NC)cc2n(CC)c1=O.
What is the InChIKey of 1-ethyl-7-(methylamino)-3-penta-2,4-dien-2-yl-1,6-naphthyridin-2-one?
The InChIKey is PWBMKEYYLZMTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-5-7-11(3)13-8-12-10-18-15(17-4)9-14(12)19(6-2)16(13)20/h5,7-10H,1,6H2,2-4H3,(H,17,18).
What are the key properties of 1-ethyl-7-(methylamino)-3-penta-2,4-dien-2-yl-1,6-naphthyridin-2-one?
1-ethyl-7-(methylamino)-3-penta-2,4-dien-2-yl-1,6-naphthyridin-2-one has a molecular weight of 269.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-(methylamino)-3-penta-2,4-dien-2-yl-1,6-naphthyridin-2-one is sourced from PubChem (CID 123476129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).