N-[3-[N-[(E)-2-amino-1-methoxyethenyl]-C-ethenylcarbonimidoyl]-8-oxo-7H-2,7-naphthyridin-1-yl]-4-fluorobenzamide

C21H18FN5O3 — CID 173486167

IUPACN-[3-[N-[(E)-2-amino-1-methoxyethenyl]-C-ethenylcarbonimidoyl]-8-oxo-7H-2,7-naphthyridin-1-yl]-4-fluorobenzamide
SMILESC=CC(=N/C(=C\N)OC)c1cc2cc[nH]c(=O)c2c(NC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C21H18FN5O3/c1-3-15(25-17(11-23)30-2)16-10-13-8-9-24-21(29)18(13)19(26-16)27-20(28)12-4-6-14(22)7-5-12/h3-11H,1,23H2,2H3,(H,24,29)(H,26,27,28)/b17-11+,25-15?
InChIKeyMMOOJOLHIMUUPF-YHKSALRSSA-N
MW407.41 g/mol
LogP2.69
Rot. Bonds6

About N-[3-[N-[(E)-2-amino-1-methoxyethenyl]-C-ethenylcarbonimidoyl]-8-oxo-7H-2,7-naphthyridin-1-yl]-4-fluorobenzamide

N-[3-[N-[(E)-2-amino-1-methoxyethenyl]-C-ethenylcarbonimidoyl]-8-oxo-7H-2,7-naphthyridin-1-yl]-4-fluorobenzamide (PubChem CID 173486167) has the molecular formula C21H18FN5O3 and a molecular weight of 407.41 g/mol. Its IUPAC name is N-[3-[N-[(E)-2-amino-1-methoxyethenyl]-C-ethenylcarbonimidoyl]-8-oxo-7H-2,7-naphthyridin-1-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[N-[(E)-2-amino-1-methoxyethenyl]-C-ethenylcarbonimidoyl]-8-oxo-7H-2,7-naphthyridin-1-yl]-4-fluorobenzamide
PubChem CID173486167
Molecular FormulaC21H18FN5O3
Molecular Weight407.41 g/mol
Exact Mass407.14
IUPAC NameN-[3-[N-[(E)-2-amino-1-methoxyethenyl]-C-ethenylcarbonimidoyl]-8-oxo-7H-2,7-naphthyridin-1-yl]-4-fluorobenzamide
SMILESC=CC(=N/C(=C\N)OC)c1cc2cc[nH]c(=O)c2c(NC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C21H18FN5O3/c1-3-15(25-17(11-23)30-2)16-10-13-8-9-24-21(29)18(13)19(26-16)27-20(28)12-4-6-14(22)7-5-12/h3-11H,1,23H2,2H3,(H,24,29)(H,26,27,28)/b17-11+,25-15?
InChIKeyMMOOJOLHIMUUPF-YHKSALRSSA-N
XLogP2.69
TPSA122.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[3-[N-[(E)-2-amino-1-methoxyethenyl]-C-ethenylcarbonimidoyl]-8-oxo-7H-2,7-naphthyridin-1-yl]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[N-[(E)-2-amino-1-methoxyethenyl]-C-ethenylcarbonimidoyl]-8-[4-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]anilino]-2H-2,7-naphthyridin-1-one
CID 173486165
4-[[3-(6-fluoro-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide
CID 58094292
methyl 6-chloro-5-[(4-fluorobenzoyl)amino]pyrazine-2-carboxylate
CID 175999287
4-[[8-oxo-3-(2,2,2-trifluoroethylamino)-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide
CID 58094255
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-[2-(2-fluorophenoxy)-3-pyridinyl]-1H-indole-5-carboxamide
CID 155909547
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide
CID 7680603
4-[2-fluoro-4-[[4-(4-fluorophenyl)-2-oxo-1H-pyridin-3-yl]carbamoyl]phenoxy]pyridine-2-carboxamide
CID 69394932
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide
CID 24591939
4-fluoro-N-(3-iodo-2-methylphenyl)benzamide
CID 113368778
6-[1-(methoxyamino)ethenyl]-8-(3-methyl-4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 123142080
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethoxybenzamide
CID 19409221

Frequently Asked Questions

What is the IUPAC name of N-[3-[N-[(E)-2-amino-1-methoxyethenyl]-C-ethenylcarbonimidoyl]-8-oxo-7H-2,7-naphthyridin-1-yl]-4-fluorobenzamide?
The IUPAC name of N-[3-[N-[(E)-2-amino-1-methoxyethenyl]-C-ethenylcarbonimidoyl]-8-oxo-7H-2,7-naphthyridin-1-yl]-4-fluorobenzamide (CID 173486167) is N-[3-[N-[(E)-2-amino-1-methoxyethenyl]-C-ethenylcarbonimidoyl]-8-oxo-7H-2,7-naphthyridin-1-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-[N-[(E)-2-amino-1-methoxyethenyl]-C-ethenylcarbonimidoyl]-8-oxo-7H-2,7-naphthyridin-1-yl]-4-fluorobenzamide?
The canonical SMILES for N-[3-[N-[(E)-2-amino-1-methoxyethenyl]-C-ethenylcarbonimidoyl]-8-oxo-7H-2,7-naphthyridin-1-yl]-4-fluorobenzamide is C=CC(=N/C(=C\N)OC)c1cc2cc[nH]c(=O)c2c(NC(=O)c2ccc(F)cc2)n1.
What is the InChIKey of N-[3-[N-[(E)-2-amino-1-methoxyethenyl]-C-ethenylcarbonimidoyl]-8-oxo-7H-2,7-naphthyridin-1-yl]-4-fluorobenzamide?
The InChIKey is MMOOJOLHIMUUPF-YHKSALRSSA-N. The full InChI is InChI=1S/C21H18FN5O3/c1-3-15(25-17(11-23)30-2)16-10-13-8-9-24-21(29)18(13)19(26-16)27-20(28)12-4-6-14(22)7-5-12/h3-11H,1,23H2,2H3,(H,24,29)(H,26,27,28)/b17-11+,25-15?.
What are the key properties of N-[3-[N-[(E)-2-amino-1-methoxyethenyl]-C-ethenylcarbonimidoyl]-8-oxo-7H-2,7-naphthyridin-1-yl]-4-fluorobenzamide?
N-[3-[N-[(E)-2-amino-1-methoxyethenyl]-C-ethenylcarbonimidoyl]-8-oxo-7H-2,7-naphthyridin-1-yl]-4-fluorobenzamide has a molecular weight of 407.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[N-[(E)-2-amino-1-methoxyethenyl]-C-ethenylcarbonimidoyl]-8-oxo-7H-2,7-naphthyridin-1-yl]-4-fluorobenzamide is sourced from PubChem (CID 173486167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).