4-[(1Z)-3-(4-fluorophenyl)-1-hydrazinylbuta-1,3-dien-2-yl]-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2-dihydropyridin-6-amine

C24H35FN6 — CID 89331582

IUPAC4-[(1Z)-3-(4-fluorophenyl)-1-hydrazinylbuta-1,3-dien-2-yl]-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2-dihydropyridin-6-amine
SMILESC=C(/C(=C\NN)C1=CC(C)NC(NCCCN2CCN(C)CC2)=C1)c1ccc(F)cc1
InChIInChI=1S/C24H35FN6/c1-18-15-21(23(17-28-26)19(2)20-5-7-22(25)8-6-20)16-24(29-18)27-9-4-10-31-13-11-30(3)12-14-31/h5-8,15-18,27-29H,2,4,9-14,26H2,1,3H3/b23-17+
InChIKeyVWAVVCUWQSJLHI-HAVVHWLPSA-N
MW426.58 g/mol
LogP2.17
Rot. Bonds9

About 4-[(1Z)-3-(4-fluorophenyl)-1-hydrazinylbuta-1,3-dien-2-yl]-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2-dihydropyridin-6-amine

4-[(1Z)-3-(4-fluorophenyl)-1-hydrazinylbuta-1,3-dien-2-yl]-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2-dihydropyridin-6-amine (PubChem CID 89331582) has the molecular formula C24H35FN6 and a molecular weight of 426.58 g/mol. Its IUPAC name is 4-[(1Z)-3-(4-fluorophenyl)-1-hydrazinylbuta-1,3-dien-2-yl]-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2-dihydropyridin-6-amine.

Molecular Properties

Compound Name4-[(1Z)-3-(4-fluorophenyl)-1-hydrazinylbuta-1,3-dien-2-yl]-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2-dihydropyridin-6-amine
PubChem CID89331582
Molecular FormulaC24H35FN6
Molecular Weight426.58 g/mol
Exact Mass426.29
IUPAC Name4-[(1Z)-3-(4-fluorophenyl)-1-hydrazinylbuta-1,3-dien-2-yl]-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2-dihydropyridin-6-amine
SMILESC=C(/C(=C\NN)C1=CC(C)NC(NCCCN2CCN(C)CC2)=C1)c1ccc(F)cc1
InChIInChI=1S/C24H35FN6/c1-18-15-21(23(17-28-26)19(2)20-5-7-22(25)8-6-20)16-24(29-18)27-9-4-10-31-13-11-30(3)12-14-31/h5-8,15-18,27-29H,2,4,9-14,26H2,1,3H3/b23-17+
InChIKeyVWAVVCUWQSJLHI-HAVVHWLPSA-N
XLogP2.17
TPSA68.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 52.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohexyl-6-(2-fluoropropan-2-yl)-4-[(1-phenylpentan-3-ylamino)methyl]-1,3,5-triazinan-2-amine
CID 163645785
N-[5-(4-fluorophenyl)-3-methyl-4-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-dihydropyrazol-3-yl]-1-methylpiperidin-4-amine
CID 71165874
1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]-N,N-dimethylpiperidin-4-amine
CID 89331497
N,N-diethyl-1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]piperidin-4-amine
CID 89331506
(1Z,3E,4Z)-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-N-prop-2-enyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine
CID 89331540
(1Z,3E,4Z)-N-[3-(diethylamino)propyl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine
CID 89331541
(1Z,3E)-3-[5-[3-(aminomethyl)piperazin-1-yl]-3-(4-fluorophenyl)-3-methyl-1,2-dihydropyrazol-4-yl]hexa-1,3,5-trien-1-amine
CID 89331563
(1Z,3E,4Z)-N-benzyl-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine
CID 89331567
(1Z,3E)-3-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine
CID 89331606
1-[(1Z,3E)-3-[(Z)-2-aminoethenyl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinylhexa-1,3,5-trienyl]piperidin-4-amine
CID 89331623
(1Z,3E,4Z)-N-[5-(diethylamino)pentan-2-yl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine
CID 89331665
(1Z,3E)-3-[(1Z)-3-(4-fluoro-3-methylphenyl)-1-hydrazinyl-1-(4-methylpiperazin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine
CID 89331666

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-3-(4-fluorophenyl)-1-hydrazinylbuta-1,3-dien-2-yl]-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2-dihydropyridin-6-amine?
The IUPAC name of 4-[(1Z)-3-(4-fluorophenyl)-1-hydrazinylbuta-1,3-dien-2-yl]-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2-dihydropyridin-6-amine (CID 89331582) is 4-[(1Z)-3-(4-fluorophenyl)-1-hydrazinylbuta-1,3-dien-2-yl]-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2-dihydropyridin-6-amine.
What is the SMILES notation for 4-[(1Z)-3-(4-fluorophenyl)-1-hydrazinylbuta-1,3-dien-2-yl]-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2-dihydropyridin-6-amine?
The canonical SMILES for 4-[(1Z)-3-(4-fluorophenyl)-1-hydrazinylbuta-1,3-dien-2-yl]-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2-dihydropyridin-6-amine is C=C(/C(=C\NN)C1=CC(C)NC(NCCCN2CCN(C)CC2)=C1)c1ccc(F)cc1.
What is the InChIKey of 4-[(1Z)-3-(4-fluorophenyl)-1-hydrazinylbuta-1,3-dien-2-yl]-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2-dihydropyridin-6-amine?
The InChIKey is VWAVVCUWQSJLHI-HAVVHWLPSA-N. The full InChI is InChI=1S/C24H35FN6/c1-18-15-21(23(17-28-26)19(2)20-5-7-22(25)8-6-20)16-24(29-18)27-9-4-10-31-13-11-30(3)12-14-31/h5-8,15-18,27-29H,2,4,9-14,26H2,1,3H3/b23-17+.
What are the key properties of 4-[(1Z)-3-(4-fluorophenyl)-1-hydrazinylbuta-1,3-dien-2-yl]-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2-dihydropyridin-6-amine?
4-[(1Z)-3-(4-fluorophenyl)-1-hydrazinylbuta-1,3-dien-2-yl]-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2-dihydropyridin-6-amine has a molecular weight of 426.58 g/mol, XLogP of 2.17, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-3-(4-fluorophenyl)-1-hydrazinylbuta-1,3-dien-2-yl]-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2-dihydropyridin-6-amine is sourced from PubChem (CID 89331582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).