N'-[(3E,5E)-6,7-difluorohepta-1,3,5-trien-4-yl]-2-propylpyridine-3-carboximidamide

C16H19F2N3 — CID 134286803

IUPACN'-[(3E,5E)-6,7-difluorohepta-1,3,5-trien-4-yl]-2-propylpyridine-3-carboximidamide
SMILESC=C/C=C(\C=C(\F)CF)/N=C(\N)c1cccnc1CCC
InChIInChI=1S/C16H19F2N3/c1-3-6-13(10-12(18)11-17)21-16(19)14-8-5-9-20-15(14)7-4-2/h3,5-6,8-10H,1,4,7,11H2,2H3,(H2,19,21)/b12-10+,13-6+
InChIKeyDHDWDJZTWJTAGX-CZKXXPGYSA-N
MW291.35 g/mol
LogP3.63
Rot. Bonds7

About N'-[(3E,5E)-6,7-difluorohepta-1,3,5-trien-4-yl]-2-propylpyridine-3-carboximidamide

N'-[(3E,5E)-6,7-difluorohepta-1,3,5-trien-4-yl]-2-propylpyridine-3-carboximidamide (PubChem CID 134286803) has the molecular formula C16H19F2N3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N'-[(3E,5E)-6,7-difluorohepta-1,3,5-trien-4-yl]-2-propylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-[(3E,5E)-6,7-difluorohepta-1,3,5-trien-4-yl]-2-propylpyridine-3-carboximidamide
PubChem CID134286803
Molecular FormulaC16H19F2N3
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC NameN'-[(3E,5E)-6,7-difluorohepta-1,3,5-trien-4-yl]-2-propylpyridine-3-carboximidamide
SMILESC=C/C=C(\C=C(\F)CF)/N=C(\N)c1cccnc1CCC
InChIInChI=1S/C16H19F2N3/c1-3-6-13(10-12(18)11-17)21-16(19)14-8-5-9-20-15(14)7-4-2/h3,5-6,8-10H,1,4,7,11H2,2H3,(H2,19,21)/b12-10+,13-6+
InChIKeyDHDWDJZTWJTAGX-CZKXXPGYSA-N
XLogP3.63
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N'-[(3E,5E)-6,7-difluorohepta-1,3,5-trien-4-yl]-2-propylpyridine-3-carboximidamide 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

N'-amino-2-ethylpyridine-3-carboximidamide
CID 141290958
2,3-dipropylpyridine
CID 19593488
butane;(3Z)-4-[2-(trifluoromethyl)-3-pyridinyl]buta-1,3-diene-1,1,4-triamine
CID 168913039
2-propyl-3-[(2-propyl-3-pyridinyl)disulfanyl]pyridine
CID 160565101
2-[(Z)-4,4-difluorohex-2-en-3-yl]-3-propylpyridine
CID 166876800
(2-propyl-3-pyridinyl) hydrogen sulfate
CID 141269769
3-(bromomethyl)-2-propylpyridine
CID 141230444
N-[3-fluoro-5-[(1E,3E,5E,7Z)-6-fluoro-4-methyl-2-(2-propyl-3-pyridinyl)nona-1,3,5,7-tetraenyl]phenyl]methanesulfonamide
CID 142906586
2-[(2Z)-2-[(E)-3-chloro-2-fluoroprop-1-enyl]penta-2,4-dienyl]pyrimidine
CID 166687652
2-(5-fluoro-3-methylidenehepta-4,6-dienyl)-3-methylpyridine
CID 123581453
1-(2-amino-3-pyridinyl)-3-ethylpent-2-en-1-one
CID 103458902
(Z)-2-(2-methyl-3-pyridinyl)pent-1-en-1-amine
CID 142342701

Frequently Asked Questions

What is the IUPAC name of N'-[(3E,5E)-6,7-difluorohepta-1,3,5-trien-4-yl]-2-propylpyridine-3-carboximidamide?
The IUPAC name of N'-[(3E,5E)-6,7-difluorohepta-1,3,5-trien-4-yl]-2-propylpyridine-3-carboximidamide (CID 134286803) is N'-[(3E,5E)-6,7-difluorohepta-1,3,5-trien-4-yl]-2-propylpyridine-3-carboximidamide.
What is the SMILES notation for N'-[(3E,5E)-6,7-difluorohepta-1,3,5-trien-4-yl]-2-propylpyridine-3-carboximidamide?
The canonical SMILES for N'-[(3E,5E)-6,7-difluorohepta-1,3,5-trien-4-yl]-2-propylpyridine-3-carboximidamide is C=C/C=C(\C=C(\F)CF)/N=C(\N)c1cccnc1CCC.
What is the InChIKey of N'-[(3E,5E)-6,7-difluorohepta-1,3,5-trien-4-yl]-2-propylpyridine-3-carboximidamide?
The InChIKey is DHDWDJZTWJTAGX-CZKXXPGYSA-N. The full InChI is InChI=1S/C16H19F2N3/c1-3-6-13(10-12(18)11-17)21-16(19)14-8-5-9-20-15(14)7-4-2/h3,5-6,8-10H,1,4,7,11H2,2H3,(H2,19,21)/b12-10+,13-6+.
What are the key properties of N'-[(3E,5E)-6,7-difluorohepta-1,3,5-trien-4-yl]-2-propylpyridine-3-carboximidamide?
N'-[(3E,5E)-6,7-difluorohepta-1,3,5-trien-4-yl]-2-propylpyridine-3-carboximidamide has a molecular weight of 291.35 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3E,5E)-6,7-difluorohepta-1,3,5-trien-4-yl]-2-propylpyridine-3-carboximidamide is sourced from PubChem (CID 134286803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).