N,N-dimethylformamide;6-hydrazinyl-4-[3-[(3-methylphenyl)methylamino]-1-phenylpropyl]pyridine-2,5-diamine

C25H35N7O — CID 145371687

IUPACN,N-dimethylformamide;6-hydrazinyl-4-[3-[(3-methylphenyl)methylamino]-1-phenylpropyl]pyridine-2,5-diamine
SMILESCN(C)C=O.Cc1cccc(CNCCC(c2ccccc2)c2cc(N)nc(NN)c2N)c1
InChIInChI=1S/C22H28N6.C3H7NO/c1-15-6-5-7-16(12-15)14-26-11-10-18(17-8-3-2-4-9-17)19-13-20(23)27-22(28-25)21(19)24;1-4(2)3-5/h2-9,12-13,18,26H,10-11,14,24-25H2,1H3,(H3,23,27,28);3H,1-2H3
InChIKeyIMPVBHYITXKACO-UHFFFAOYSA-N
MW449.60 g/mol
LogP2.86
Rot. Bonds9

About N,N-dimethylformamide;6-hydrazinyl-4-[3-[(3-methylphenyl)methylamino]-1-phenylpropyl]pyridine-2,5-diamine

N,N-dimethylformamide;6-hydrazinyl-4-[3-[(3-methylphenyl)methylamino]-1-phenylpropyl]pyridine-2,5-diamine (PubChem CID 145371687) has the molecular formula C25H35N7O and a molecular weight of 449.60 g/mol. Its IUPAC name is N,N-dimethylformamide;6-hydrazinyl-4-[3-[(3-methylphenyl)methylamino]-1-phenylpropyl]pyridine-2,5-diamine.

Molecular Properties

Compound NameN,N-dimethylformamide;6-hydrazinyl-4-[3-[(3-methylphenyl)methylamino]-1-phenylpropyl]pyridine-2,5-diamine
PubChem CID145371687
Molecular FormulaC25H35N7O
Molecular Weight449.60 g/mol
Exact Mass449.29
IUPAC NameN,N-dimethylformamide;6-hydrazinyl-4-[3-[(3-methylphenyl)methylamino]-1-phenylpropyl]pyridine-2,5-diamine
SMILESCN(C)C=O.Cc1cccc(CNCCC(c2ccccc2)c2cc(N)nc(NN)c2N)c1
InChIInChI=1S/C22H28N6.C3H7NO/c1-15-6-5-7-16(12-15)14-26-11-10-18(17-8-3-2-4-9-17)19-13-20(23)27-22(28-25)21(19)24;1-4(2)3-5/h2-9,12-13,18,26H,10-11,14,24-25H2,1H3,(H3,23,27,28);3H,1-2H3
InChIKeyIMPVBHYITXKACO-UHFFFAOYSA-N
XLogP2.86
TPSA135.32 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 52.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

3-[[[3-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-3-phenylpropyl]amino]methyl]-N,N-dimethylbenzamide
CID 155112963
3-[[[3-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-3-phenylpropyl]amino]methyl]benzamide
CID 145371690
4-[1-phenyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyridine-2,3,6-triamine
CID 145371800
6-hydrazinyl-4-(1-phenyl-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl)pyridine-2,5-diamine
CID 145371767
4-[(1R)-2-[6-(4-chlorophenyl)-1H-benzimidazol-2-yl]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine
CID 155113001
(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
N'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69241095
N-benzyl-3-[2,6-bis(2,5-dimethylpyrrol-1-yl)-4-pyridinyl]-3-phenylpropan-1-amine
CID 130431684
N,N-dimethylformamide;1,3-xylene
CID 175545564
N-[2-(3-methylphenyl)ethyl]-3-phenylbutan-1-amine
CID 62313909
ethane;methanamine;2-[(3-methylphenyl)methylamino]acetaldehyde
CID 143498965

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;6-hydrazinyl-4-[3-[(3-methylphenyl)methylamino]-1-phenylpropyl]pyridine-2,5-diamine?
The IUPAC name of N,N-dimethylformamide;6-hydrazinyl-4-[3-[(3-methylphenyl)methylamino]-1-phenylpropyl]pyridine-2,5-diamine (CID 145371687) is N,N-dimethylformamide;6-hydrazinyl-4-[3-[(3-methylphenyl)methylamino]-1-phenylpropyl]pyridine-2,5-diamine.
What is the SMILES notation for N,N-dimethylformamide;6-hydrazinyl-4-[3-[(3-methylphenyl)methylamino]-1-phenylpropyl]pyridine-2,5-diamine?
The canonical SMILES for N,N-dimethylformamide;6-hydrazinyl-4-[3-[(3-methylphenyl)methylamino]-1-phenylpropyl]pyridine-2,5-diamine is CN(C)C=O.Cc1cccc(CNCCC(c2ccccc2)c2cc(N)nc(NN)c2N)c1.
What is the InChIKey of N,N-dimethylformamide;6-hydrazinyl-4-[3-[(3-methylphenyl)methylamino]-1-phenylpropyl]pyridine-2,5-diamine?
The InChIKey is IMPVBHYITXKACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6.C3H7NO/c1-15-6-5-7-16(12-15)14-26-11-10-18(17-8-3-2-4-9-17)19-13-20(23)27-22(28-25)21(19)24;1-4(2)3-5/h2-9,12-13,18,26H,10-11,14,24-25H2,1H3,(H3,23,27,28);3H,1-2H3.
What are the key properties of N,N-dimethylformamide;6-hydrazinyl-4-[3-[(3-methylphenyl)methylamino]-1-phenylpropyl]pyridine-2,5-diamine?
N,N-dimethylformamide;6-hydrazinyl-4-[3-[(3-methylphenyl)methylamino]-1-phenylpropyl]pyridine-2,5-diamine has a molecular weight of 449.60 g/mol, XLogP of 2.86, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;6-hydrazinyl-4-[3-[(3-methylphenyl)methylamino]-1-phenylpropyl]pyridine-2,5-diamine is sourced from PubChem (CID 145371687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).