6-[2-(3-amino-2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethynyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C17H16FN3O — CID 142286130

IUPAC6-[2-(3-amino-2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethynyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC1CC=C(N)C(F)=C1C#Cc1cnc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H16FN3O/c1-10-2-6-14(19)16(18)13(10)5-3-11-8-12-4-7-15(22)21-17(12)20-9-11/h6,8-10H,2,4,7,19H2,1H3,(H,20,21,22)
InChIKeyLQKFQJWEJMKJOG-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.42
Rot. Bonds

About 6-[2-(3-amino-2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethynyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

6-[2-(3-amino-2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethynyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 142286130) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 6-[2-(3-amino-2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethynyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[2-(3-amino-2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethynyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID142286130
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name6-[2-(3-amino-2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethynyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC1CC=C(N)C(F)=C1C#Cc1cnc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H16FN3O/c1-10-2-6-14(19)16(18)13(10)5-3-11-8-12-4-7-15(22)21-17(12)20-9-11/h6,8-10H,2,4,7,19H2,1H3,(H,20,21,22)
InChIKeyLQKFQJWEJMKJOG-UHFFFAOYSA-N
XLogP2.42
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methylpyridin-2-yl)-2,2-diphenylacetamide
CID 939927
2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propanamide
CID 6612586
N-(3-methyl-2-pyridinyl)-2,2-diphenylacetamide
CID 4450213
N-(5-methylpyridin-2-yl)-4-phenylbutanamide
CID 838086
2-phenyl-N-(2-pyridinyl)butanamide
CID 2852795
cis-4-(2-Oxo-piperidin-1-yl)-cyclohexanecarboxylic acid [5-(3,5-difluoro-phenyl)-pyridin-2-yl]-amide
CID 46913706
2-phenyl-N-pyridin-2-ylpropanamide
CID 3107581
2,2-diphenyl-N-(pyridin-2-yl)acetamide
CID 246299
N-(4-methylpyridin-2-yl)-4-phenylbutanamide
CID 885592
3-cyclohexyl-N-(4-methylpyridin-2-yl)propanamide
CID 887275
N-(3-pyridin-2-ylisoquinolin-1-yl)decanamide
CID 4057423
N-(4-butan-2-ylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 4840613

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-amino-2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethynyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-[2-(3-amino-2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethynyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 142286130) is 6-[2-(3-amino-2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethynyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-[2-(3-amino-2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethynyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[2-(3-amino-2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethynyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is CC1CC=C(N)C(F)=C1C#Cc1cnc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[2-(3-amino-2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethynyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is LQKFQJWEJMKJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-10-2-6-14(19)16(18)13(10)5-3-11-8-12-4-7-15(22)21-17(12)20-9-11/h6,8-10H,2,4,7,19H2,1H3,(H,20,21,22).
What are the key properties of 6-[2-(3-amino-2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethynyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
6-[2-(3-amino-2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethynyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 297.33 g/mol, XLogP of 2.42, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-amino-2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethynyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 142286130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).