3-fluoro-N-[(3Z,5E)-5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)hepta-1,3,5-trien-2-yl]-2,3-dihydropyridine-4-carboxamide

C24H27FN4O — CID 163469967

IUPAC3-fluoro-N-[(3Z,5E)-5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)hepta-1,3,5-trien-2-yl]-2,3-dihydropyridine-4-carboxamide
SMILESC=C(/C=C\C(=C/C)C1=C(C)CCN(c2ccccn2)C1)NC(=O)C1=CC=NCC1F
InChIInChI=1S/C24H27FN4O/c1-4-19(9-8-18(3)28-24(30)20-10-13-26-15-22(20)25)21-16-29(14-11-17(21)2)23-7-5-6-12-27-23/h4-10,12-13,22H,3,11,14-16H2,1-2H3,(H,28,30)/b9-8-,19-4+
InChIKeyBVTJICKUDGRLCJ-HMRWWOEOSA-N
MW406.51 g/mol
LogP4.09
Rot. Bonds6

About 3-fluoro-N-[(3Z,5E)-5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)hepta-1,3,5-trien-2-yl]-2,3-dihydropyridine-4-carboxamide

3-fluoro-N-[(3Z,5E)-5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)hepta-1,3,5-trien-2-yl]-2,3-dihydropyridine-4-carboxamide (PubChem CID 163469967) has the molecular formula C24H27FN4O and a molecular weight of 406.51 g/mol. Its IUPAC name is 3-fluoro-N-[(3Z,5E)-5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)hepta-1,3,5-trien-2-yl]-2,3-dihydropyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[(3Z,5E)-5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)hepta-1,3,5-trien-2-yl]-2,3-dihydropyridine-4-carboxamide
PubChem CID163469967
Molecular FormulaC24H27FN4O
Molecular Weight406.51 g/mol
Exact Mass406.22
IUPAC Name3-fluoro-N-[(3Z,5E)-5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)hepta-1,3,5-trien-2-yl]-2,3-dihydropyridine-4-carboxamide
SMILESC=C(/C=C\C(=C/C)C1=C(C)CCN(c2ccccn2)C1)NC(=O)C1=CC=NCC1F
InChIInChI=1S/C24H27FN4O/c1-4-19(9-8-18(3)28-24(30)20-10-13-26-15-22(20)25)21-16-29(14-11-17(21)2)23-7-5-6-12-27-23/h4-10,12-13,22H,3,11,14-16H2,1-2H3,(H,28,30)/b9-8-,19-4+
InChIKeyBVTJICKUDGRLCJ-HMRWWOEOSA-N
XLogP4.09
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-fluoro-N-[(3Z,5E)-5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)hepta-1,3,5-trien-2-yl]-2,3-dihydropyridine-4-carboxamide with MolForge

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Related Compounds

N-[(3Z,5E)-7-imino-7-[(5R)-2-imino-5-methylpyrrolidin-1-yl]-6-methylhepta-1,3,5-trien-2-yl]-6-pyridin-2-yl-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
CID 155700927
2-(4-methylidenepiperidin-1-yl)pyridine
CID 23544056
N-[(3Z,5E)-6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)hepta-1,3,5-trien-2-yl]-6-methoxy-2-pyridin-2-yl-3,4-dihydro-1H-isoquinoline-7-carboxamide;propane
CID 155700582
3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide
CID 90621378
N-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 47293347
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109353119
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
N-[(3-methylphenyl)methyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109347173
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
(2R)-5-oxo-1-pyridin-2-ylpyrrolidine-2-carboxylic acid
CID 129395627
(3S,4S)-4-methyl-N-(4-methyl-3-pyridinyl)-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 128977351

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3Z,5E)-5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)hepta-1,3,5-trien-2-yl]-2,3-dihydropyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[(3Z,5E)-5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)hepta-1,3,5-trien-2-yl]-2,3-dihydropyridine-4-carboxamide (CID 163469967) is 3-fluoro-N-[(3Z,5E)-5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)hepta-1,3,5-trien-2-yl]-2,3-dihydropyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[(3Z,5E)-5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)hepta-1,3,5-trien-2-yl]-2,3-dihydropyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[(3Z,5E)-5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)hepta-1,3,5-trien-2-yl]-2,3-dihydropyridine-4-carboxamide is C=C(/C=C\C(=C/C)C1=C(C)CCN(c2ccccn2)C1)NC(=O)C1=CC=NCC1F.
What is the InChIKey of 3-fluoro-N-[(3Z,5E)-5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)hepta-1,3,5-trien-2-yl]-2,3-dihydropyridine-4-carboxamide?
The InChIKey is BVTJICKUDGRLCJ-HMRWWOEOSA-N. The full InChI is InChI=1S/C24H27FN4O/c1-4-19(9-8-18(3)28-24(30)20-10-13-26-15-22(20)25)21-16-29(14-11-17(21)2)23-7-5-6-12-27-23/h4-10,12-13,22H,3,11,14-16H2,1-2H3,(H,28,30)/b9-8-,19-4+.
What are the key properties of 3-fluoro-N-[(3Z,5E)-5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)hepta-1,3,5-trien-2-yl]-2,3-dihydropyridine-4-carboxamide?
3-fluoro-N-[(3Z,5E)-5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)hepta-1,3,5-trien-2-yl]-2,3-dihydropyridine-4-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(3Z,5E)-5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)hepta-1,3,5-trien-2-yl]-2,3-dihydropyridine-4-carboxamide is sourced from PubChem (CID 163469967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).