4-[3-[[2-(4-fluorophenyl)cyclopropyl]methylamino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine

C24H29FN6 — CID 145371829

IUPAC4-[3-[[2-(4-fluorophenyl)cyclopropyl]methylamino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine
SMILESNNc1nc(N)cc(C(CCNCC2CC2c2ccc(F)cc2)c2ccccc2)c1N
InChIInChI=1S/C24H29FN6/c25-18-8-6-16(7-9-18)20-12-17(20)14-29-11-10-19(15-4-2-1-3-5-15)21-13-22(26)30-24(31-28)23(21)27/h1-9,13,17,19-20,29H,10-12,14,27-28H2,(H3,26,30,31)
InChIKeyXVHSOQLJMJERLN-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.59
Rot. Bonds9

About 4-[3-[[2-(4-fluorophenyl)cyclopropyl]methylamino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine

4-[3-[[2-(4-fluorophenyl)cyclopropyl]methylamino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine (PubChem CID 145371829) has the molecular formula C24H29FN6 and a molecular weight of 420.54 g/mol. Its IUPAC name is 4-[3-[[2-(4-fluorophenyl)cyclopropyl]methylamino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine.

Molecular Properties

Compound Name4-[3-[[2-(4-fluorophenyl)cyclopropyl]methylamino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine
PubChem CID145371829
Molecular FormulaC24H29FN6
Molecular Weight420.54 g/mol
Exact Mass420.24
IUPAC Name4-[3-[[2-(4-fluorophenyl)cyclopropyl]methylamino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine
SMILESNNc1nc(N)cc(C(CCNCC2CC2c2ccc(F)cc2)c2ccccc2)c1N
InChIInChI=1S/C24H29FN6/c25-18-8-6-16(7-9-18)20-12-17(20)14-29-11-10-19(15-4-2-1-3-5-15)21-13-22(26)30-24(31-28)23(21)27/h1-9,13,17,19-20,29H,10-12,14,27-28H2,(H3,26,30,31)
InChIKeyXVHSOQLJMJERLN-UHFFFAOYSA-N
XLogP3.59
TPSA115.01 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.59
H-Bond Donors ≤ 55
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'}

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Related Compounds

6-(2-{5-Fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine
CID 134686798
4-Phenyl-3-phenyldiazenylpyridine-2,6-diamine
CID 178312609
4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine
CID 67454482
4-[1-(4-Fluorophenyl)ethyl]pyridine-2,3,6-triamine
CID 67455405
4-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine
CID 67456079
3-N-benzyl-6-(4-fluorophenyl)-4H-pyrido[3,2-d]pyrimidine-2,3-diamine
CID 69081588
2-[5-(3-Fluoro-4-phenylphenyl)-1,2-dihydrotriazol-3-yl]-6-methylpyridine
CID 69970196
2-N-(cyclohexylmethyl)-6-(3-fluoro-5-methylphenyl)pyridine-2,3-diamine
CID 70317626
N-(((1S,2S)-2-(4-fluorophenyl)cyclopropyl)methyl)-2-hydrazinyl-3-(trifluoromethyl) pyridin-4-amine
CID 86696525
3-N-(cyclopropylmethyl)-6-(4-fluorophenyl)-2-N-methylpyridine-2,3-diamine
CID 117906135
3-N-(cyclopropylmethyl)-6-(2,4-difluorophenyl)-2-N-methylpyridine-2,3-diamine
CID 117906236
3-N-(cyclopropylmethyl)-6-(4-fluoro-2-methylphenyl)-2-N-methylpyridine-2,3-diamine
CID 117906241

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[2-(4-fluorophenyl)cyclopropyl]methylamino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine?
The IUPAC name of 4-[3-[[2-(4-fluorophenyl)cyclopropyl]methylamino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine (CID 145371829) is 4-[3-[[2-(4-fluorophenyl)cyclopropyl]methylamino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine.
What is the SMILES notation for 4-[3-[[2-(4-fluorophenyl)cyclopropyl]methylamino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine?
The canonical SMILES for 4-[3-[[2-(4-fluorophenyl)cyclopropyl]methylamino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine is NNc1nc(N)cc(C(CCNCC2CC2c2ccc(F)cc2)c2ccccc2)c1N.
What is the InChIKey of 4-[3-[[2-(4-fluorophenyl)cyclopropyl]methylamino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine?
The InChIKey is XVHSOQLJMJERLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6/c25-18-8-6-16(7-9-18)20-12-17(20)14-29-11-10-19(15-4-2-1-3-5-15)21-13-22(26)30-24(31-28)23(21)27/h1-9,13,17,19-20,29H,10-12,14,27-28H2,(H3,26,30,31).
What are the key properties of 4-[3-[[2-(4-fluorophenyl)cyclopropyl]methylamino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine?
4-[3-[[2-(4-fluorophenyl)cyclopropyl]methylamino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine has a molecular weight of 420.54 g/mol, XLogP of 3.59, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[2-(4-fluorophenyl)cyclopropyl]methylamino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine is sourced from PubChem (CID 145371829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).