6-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine

C28H44N6O — CID 143450305

IUPAC6-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine
SMILESCCCN(CCC)c1cc(N/N=C/c2cccc(C)c2)nc(OCCN2CCN(CC)C(C)C2)c1
InChIInChI=1S/C28H44N6O/c1-6-12-34(13-7-2)26-19-27(31-29-21-25-11-9-10-23(4)18-25)30-28(20-26)35-17-16-32-14-15-33(8-3)24(5)22-32/h9-11,18-21,24H,6-8,12-17,22H2,1-5H3,(H,30,31)/b29-21+
InChIKeyPTDGIXRXERULHG-XHLNEMQHSA-N
MW480.70 g/mol
LogP4.87
Rot. Bonds13

About 6-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine

6-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine (PubChem CID 143450305) has the molecular formula C28H44N6O and a molecular weight of 480.70 g/mol. Its IUPAC name is 6-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine
PubChem CID143450305
Molecular FormulaC28H44N6O
Molecular Weight480.70 g/mol
Exact Mass480.36
IUPAC Name6-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine
SMILESCCCN(CCC)c1cc(N/N=C/c2cccc(C)c2)nc(OCCN2CCN(CC)C(C)C2)c1
InChIInChI=1S/C28H44N6O/c1-6-12-34(13-7-2)26-19-27(31-29-21-25-11-9-10-23(4)18-25)30-28(20-26)35-17-16-32-14-15-33(8-3)24(5)22-32/h9-11,18-21,24H,6-8,12-17,22H2,1-5H3,(H,30,31)/b29-21+
InChIKeyPTDGIXRXERULHG-XHLNEMQHSA-N
XLogP4.87
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.70
LogP ≤ 54.87
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

6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 89331892
4-[2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethoxy]butan-1-ol
CID 89332299
2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethyl N-phenylcarbamate
CID 89332304
6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66682225
6-N-ethyl-2-N-[(E)-(3-methylphenyl)methylideneamino]-6-N-(2-morpholin-4-ylethyl)-4-N,4-N-dipropylpyridine-2,4,6-triamine
CID 89358423
4-(dipropylamino)-N,N-dimethyl-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]pyridine-2-carboxamide
CID 89358315
6-[2-(diethylamino)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66682112
4-N,4-N-dipropyl-6-(2-pyrrolidin-1-ylethoxy)pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
CID 143340651
6-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 11190459
2-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-4-amine
CID 89358336
3-[(2E)-2-[[4-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
CID 89163631
6-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 11314679

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine?
The IUPAC name of 6-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine (CID 143450305) is 6-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine.
What is the SMILES notation for 6-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine?
The canonical SMILES for 6-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine is CCCN(CCC)c1cc(N/N=C/c2cccc(C)c2)nc(OCCN2CCN(CC)C(C)C2)c1.
What is the InChIKey of 6-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine?
The InChIKey is PTDGIXRXERULHG-XHLNEMQHSA-N. The full InChI is InChI=1S/C28H44N6O/c1-6-12-34(13-7-2)26-19-27(31-29-21-25-11-9-10-23(4)18-25)30-28(20-26)35-17-16-32-14-15-33(8-3)24(5)22-32/h9-11,18-21,24H,6-8,12-17,22H2,1-5H3,(H,30,31)/b29-21+.
What are the key properties of 6-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine?
6-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine has a molecular weight of 480.70 g/mol, XLogP of 4.87, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine is sourced from PubChem (CID 143450305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).