4-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine

C24H29N5O2 — CID 130450775

IUPAC4-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine
SMILESNNc1nc(N)cc(C(CCC2(Cc3ccccc3)OCCO2)c2ccccc2)c1N
InChIInChI=1S/C24H29N5O2/c25-21-15-20(22(26)23(28-21)29-27)19(18-9-5-2-6-10-18)11-12-24(30-13-14-31-24)16-17-7-3-1-4-8-17/h1-10,15,19H,11-14,16,26-27H2,(H3,25,28,29)
InChIKeyFSZAMMIRFCHMCP-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.43
Rot. Bonds8

About 4-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine

4-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine (PubChem CID 130450775) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine.

Molecular Properties

Compound Name4-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine
PubChem CID130450775
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name4-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine
SMILESNNc1nc(N)cc(C(CCC2(Cc3ccccc3)OCCO2)c2ccccc2)c1N
InChIInChI=1S/C24H29N5O2/c25-21-15-20(22(26)23(28-21)29-27)19(18-9-5-2-6-10-18)11-12-24(30-13-14-31-24)16-17-7-3-1-4-8-17/h1-10,15,19H,11-14,16,26-27H2,(H3,25,28,29)
InChIKeyFSZAMMIRFCHMCP-UHFFFAOYSA-N
XLogP3.43
TPSA121.44 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,5-Diphenyl-5-(2,3,6-triamino-4-pyridinyl)pentan-2-ol
CID 130450718
7-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 130450773
[4-[2-(3,6-Diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenyl]methanol
CID 130451182
4-[3-(2-Benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]pyridine-2,3,6-triamine
CID 130451185
4-(3-Amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;2-phenyloxane
CID 145371810

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine?
The IUPAC name of 4-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine (CID 130450775) is 4-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine.
What is the SMILES notation for 4-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine?
The canonical SMILES for 4-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine is NNc1nc(N)cc(C(CCC2(Cc3ccccc3)OCCO2)c2ccccc2)c1N.
What is the InChIKey of 4-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine?
The InChIKey is FSZAMMIRFCHMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c25-21-15-20(22(26)23(28-21)29-27)19(18-9-5-2-6-10-18)11-12-24(30-13-14-31-24)16-17-7-3-1-4-8-17/h1-10,15,19H,11-14,16,26-27H2,(H3,25,28,29).
What are the key properties of 4-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine?
4-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine has a molecular weight of 419.53 g/mol, XLogP of 3.43, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine is sourced from PubChem (CID 130450775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).