5-[N-(4-fluoro-5-methyl-2-methylidenehept-3-enyl)-C-methylcarbonimidoyl]-6-methyl-3-methylidene-N-prop-1-enyl-1,4-dihydropyridin-2-imine

C21H30FN3 — CID 137031858

IUPAC5-[N-(4-fluoro-5-methyl-2-methylidenehept-3-enyl)-C-methylcarbonimidoyl]-6-methyl-3-methylidene-N-prop-1-enyl-1,4-dihydropyridin-2-imine
SMILESC=C(C=C(F)C(C)CC)C/N=C(\C)C1=C(C)N/C(=N\C=CC)C(=C)C1
InChIInChI=1S/C21H30FN3/c1-8-10-23-21-16(5)12-19(18(7)25-21)17(6)24-13-14(3)11-20(22)15(4)9-2/h8,10-11,15H,3,5,9,12-13H2,1-2,4,6-7H3,(H,23,25)/b10-8?,20-11?,24-17+
InChIKeyWCZOANVCNXMQDU-PEEXLKSTSA-N
MW343.49 g/mol
LogP5.66
Rot. Bonds7

About 5-[N-(4-fluoro-5-methyl-2-methylidenehept-3-enyl)-C-methylcarbonimidoyl]-6-methyl-3-methylidene-N-prop-1-enyl-1,4-dihydropyridin-2-imine

5-[N-(4-fluoro-5-methyl-2-methylidenehept-3-enyl)-C-methylcarbonimidoyl]-6-methyl-3-methylidene-N-prop-1-enyl-1,4-dihydropyridin-2-imine (PubChem CID 137031858) has the molecular formula C21H30FN3 and a molecular weight of 343.49 g/mol. Its IUPAC name is 5-[N-(4-fluoro-5-methyl-2-methylidenehept-3-enyl)-C-methylcarbonimidoyl]-6-methyl-3-methylidene-N-prop-1-enyl-1,4-dihydropyridin-2-imine.

Molecular Properties

Compound Name5-[N-(4-fluoro-5-methyl-2-methylidenehept-3-enyl)-C-methylcarbonimidoyl]-6-methyl-3-methylidene-N-prop-1-enyl-1,4-dihydropyridin-2-imine
PubChem CID137031858
Molecular FormulaC21H30FN3
Molecular Weight343.49 g/mol
Exact Mass343.24
IUPAC Name5-[N-(4-fluoro-5-methyl-2-methylidenehept-3-enyl)-C-methylcarbonimidoyl]-6-methyl-3-methylidene-N-prop-1-enyl-1,4-dihydropyridin-2-imine
SMILESC=C(C=C(F)C(C)CC)C/N=C(\C)C1=C(C)N/C(=N\C=CC)C(=C)C1
InChIInChI=1S/C21H30FN3/c1-8-10-23-21-16(5)12-19(18(7)25-21)17(6)24-13-14(3)11-20(22)15(4)9-2/h8,10-11,15H,3,5,9,12-13H2,1-2,4,6-7H3,(H,23,25)/b10-8?,20-11?,24-17+
InChIKeyWCZOANVCNXMQDU-PEEXLKSTSA-N
XLogP5.66
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.49
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5-[N-(4-fluoro-5-methyl-2-methylidenehept-3-enyl)-C-methylcarbonimidoyl]-6-methyl-3-methylidene-N-prop-1-enyl-1,4-dihydropyridin-2-imine 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

(2Z)-2-amino-N-(1-cyclopropylethenyl)-N'-ethenyl-2-[4-(5-fluoro-2-methylcyclohexa-1,5-dien-1-yl)cyclohexa-2,4-dien-1-ylidene]ethanimidamide
CID 144398211
(Z)-2-(1-aminoethenyl)-N'-(aminomethyl)-4-fluoro-N-(2-methylimino-3-prop-1-en-2-yl-3,4-dihydro-1H-pyridin-5-yl)pent-2-enimidamide
CID 173739569
(6E,8Z)-N-[(2E,4Z)-1,6-difluorohexa-2,4-dien-3-yl]-2-imino-N',6-dimethyl-5-methylideneundeca-6,8,10-trienimidamide
CID 144356885
(2E)-N'-(3-cyclohexa-1,3-dien-1-ylbut-3-enyl)-4-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)hexa-2,5-dienimidamide
CID 90813969
5-ethyl-N-[(3E)-2-imino-6-methylhepta-3,6-dien-3-yl]-3,4-dimethyl-3,4-dihydropyridin-2-amine
CID 90950644
4-methyl-1-(5-methylhexyl)-8H-pyrido[2,3-b]azepin-5-imine
CID 123307248
(2E)-N-(1-cyclopropylethenyl)-N'-ethenyl-2-[4-(2-methylprop-1-enyl)cyclohexa-2,4-dien-1-ylidene]ethanimidamide
CID 129169649
(2Z,5Z)-N'-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]-2-(1-aminoprop-2-enylidene)-3,4-dimethylidene-N-prop-1-en-2-ylocta-5,7-dienimidamide
CID 144148744
(2E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-2-ethenyl-N'-ethylpenta-2,4-dienimidamide
CID 155419368
(Z)-N-but-1-en-2-yl-N'-[(4-ethylcyclopenta-1,3-dien-1-yl)methyl]but-2-enimidamide
CID 156480061
4-methyl-5-N-(2-methyl-4-propa-1,2-dienylcyclopenta-1,4-dien-1-yl)-2-N-prop-1-en-2-yl-3,4-dihydropyridine-2,5-diamine
CID 176525253
N'-[(Z)-prop-1-enyl]-N-[(4Z)-3,4,5-trimethylnona-1,4-dien-2-yl]ethanimidamide
CID 156791241

Frequently Asked Questions

What is the IUPAC name of 5-[N-(4-fluoro-5-methyl-2-methylidenehept-3-enyl)-C-methylcarbonimidoyl]-6-methyl-3-methylidene-N-prop-1-enyl-1,4-dihydropyridin-2-imine?
The IUPAC name of 5-[N-(4-fluoro-5-methyl-2-methylidenehept-3-enyl)-C-methylcarbonimidoyl]-6-methyl-3-methylidene-N-prop-1-enyl-1,4-dihydropyridin-2-imine (CID 137031858) is 5-[N-(4-fluoro-5-methyl-2-methylidenehept-3-enyl)-C-methylcarbonimidoyl]-6-methyl-3-methylidene-N-prop-1-enyl-1,4-dihydropyridin-2-imine.
What is the SMILES notation for 5-[N-(4-fluoro-5-methyl-2-methylidenehept-3-enyl)-C-methylcarbonimidoyl]-6-methyl-3-methylidene-N-prop-1-enyl-1,4-dihydropyridin-2-imine?
The canonical SMILES for 5-[N-(4-fluoro-5-methyl-2-methylidenehept-3-enyl)-C-methylcarbonimidoyl]-6-methyl-3-methylidene-N-prop-1-enyl-1,4-dihydropyridin-2-imine is C=C(C=C(F)C(C)CC)C/N=C(\C)C1=C(C)N/C(=N\C=CC)C(=C)C1.
What is the InChIKey of 5-[N-(4-fluoro-5-methyl-2-methylidenehept-3-enyl)-C-methylcarbonimidoyl]-6-methyl-3-methylidene-N-prop-1-enyl-1,4-dihydropyridin-2-imine?
The InChIKey is WCZOANVCNXMQDU-PEEXLKSTSA-N. The full InChI is InChI=1S/C21H30FN3/c1-8-10-23-21-16(5)12-19(18(7)25-21)17(6)24-13-14(3)11-20(22)15(4)9-2/h8,10-11,15H,3,5,9,12-13H2,1-2,4,6-7H3,(H,23,25)/b10-8?,20-11?,24-17+.
What are the key properties of 5-[N-(4-fluoro-5-methyl-2-methylidenehept-3-enyl)-C-methylcarbonimidoyl]-6-methyl-3-methylidene-N-prop-1-enyl-1,4-dihydropyridin-2-imine?
5-[N-(4-fluoro-5-methyl-2-methylidenehept-3-enyl)-C-methylcarbonimidoyl]-6-methyl-3-methylidene-N-prop-1-enyl-1,4-dihydropyridin-2-imine has a molecular weight of 343.49 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-(4-fluoro-5-methyl-2-methylidenehept-3-enyl)-C-methylcarbonimidoyl]-6-methyl-3-methylidene-N-prop-1-enyl-1,4-dihydropyridin-2-imine is sourced from PubChem (CID 137031858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).