2-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyridin-4-amine;ethane

C27H39N5O2 — CID 143340929

IUPAC2-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyridin-4-amine;ethane
SMILESCC.CCCN(CCC)c1cc(/C=N/Nc2cc(C)c(C)o2)nc(OCCc2ccccn2)c1
InChIInChI=1S/C25H33N5O2.C2H6/c1-5-12-30(13-6-2)23-16-22(18-27-29-25-15-19(3)20(4)32-25)28-24(17-23)31-14-10-21-9-7-8-11-26-21;1-2/h7-9,11,15-18,29H,5-6,10,12-14H2,1-4H3;1-2H3/b27-18+;
InChIKeyXMPWFDMKBHTPTO-ZEJCXCISSA-N
MW465.64 g/mol
LogP6.41
Rot. Bonds12

About 2-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyridin-4-amine;ethane

2-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyridin-4-amine;ethane (PubChem CID 143340929) has the molecular formula C27H39N5O2 and a molecular weight of 465.64 g/mol. Its IUPAC name is 2-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyridin-4-amine;ethane.

Molecular Properties

Compound Name2-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyridin-4-amine;ethane
PubChem CID143340929
Molecular FormulaC27H39N5O2
Molecular Weight465.64 g/mol
Exact Mass465.31
IUPAC Name2-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyridin-4-amine;ethane
SMILESCC.CCCN(CCC)c1cc(/C=N/Nc2cc(C)c(C)o2)nc(OCCc2ccccn2)c1
InChIInChI=1S/C25H33N5O2.C2H6/c1-5-12-30(13-6-2)23-16-22(18-27-29-25-15-19(3)20(4)32-25)28-24(17-23)31-14-10-21-9-7-8-11-26-21;1-2/h7-9,11,15-18,29H,5-6,10,12-14H2,1-4H3;1-2H3/b27-18+;
InChIKeyXMPWFDMKBHTPTO-ZEJCXCISSA-N
XLogP6.41
TPSA75.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.64
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyridin-4-amine
CID 143341085
6-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 89358334
6-[(E)-[(2,5-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 143340667
6-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 89332198
2-N-[(E)-[4-(dipropylamino)-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methylideneamino]-4-methylbenzene-1,2-diamine;ethane
CID 143341180
4-[(2E)-2-[[6-[butyl(propyl)amino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]phenol
CID 143847127
N-[(E)-[4-(dipropylamino)-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methylideneamino]-1H-indol-3-amine
CID 89332059
2-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-4-amine
CID 89358336
6-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine
CID 89332288
6-N-[(E)-(3-iodophenyl)methylideneamino]-4-N,4-N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine
CID 143533368
4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane
CID 143341149
6-[(E)-(3-methylphenyl)methylideneamino]oxy-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 89358533

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyridin-4-amine;ethane?
The IUPAC name of 2-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyridin-4-amine;ethane (CID 143340929) is 2-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyridin-4-amine;ethane.
What is the SMILES notation for 2-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyridin-4-amine;ethane?
The canonical SMILES for 2-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyridin-4-amine;ethane is CC.CCCN(CCC)c1cc(/C=N/Nc2cc(C)c(C)o2)nc(OCCc2ccccn2)c1.
What is the InChIKey of 2-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyridin-4-amine;ethane?
The InChIKey is XMPWFDMKBHTPTO-ZEJCXCISSA-N. The full InChI is InChI=1S/C25H33N5O2.C2H6/c1-5-12-30(13-6-2)23-16-22(18-27-29-25-15-19(3)20(4)32-25)28-24(17-23)31-14-10-21-9-7-8-11-26-21;1-2/h7-9,11,15-18,29H,5-6,10,12-14H2,1-4H3;1-2H3/b27-18+;.
What are the key properties of 2-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyridin-4-amine;ethane?
2-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyridin-4-amine;ethane has a molecular weight of 465.64 g/mol, XLogP of 6.41, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyridin-4-amine;ethane is sourced from PubChem (CID 143340929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).