6-[2-[(5-chloro-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine

C28H40ClN5O2 — CID 143341441

IUPAC6-[2-[(5-chloro-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
SMILESCC.CCCN(CCC)c1cc(N)nc(OCCOc2ccc(Cl)cn2)c1.[H]/N=C/c1cccc(C)c1
InChIInChI=1S/C18H25ClN4O2.C8H9N.C2H6/c1-3-7-23(8-4-2)15-11-16(20)22-18(12-15)25-10-9-24-17-6-5-14(19)13-21-17;1-7-3-2-4-8(5-7)6-9;1-2/h5-6,11-13H,3-4,7-10H2,1-2H3,(H2,20,22);2-6,9H,1H3;1-2H3/b;9-6+;
InChIKeyUCVYTVNXDRSAGH-YJXWIHHLSA-N
MW514.11 g/mol
LogP6.82
Rot. Bonds11

About 6-[2-[(5-chloro-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine

6-[2-[(5-chloro-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine (PubChem CID 143341441) has the molecular formula C28H40ClN5O2 and a molecular weight of 514.11 g/mol. Its IUPAC name is 6-[2-[(5-chloro-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine.

Molecular Properties

Compound Name6-[2-[(5-chloro-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
PubChem CID143341441
Molecular FormulaC28H40ClN5O2
Molecular Weight514.11 g/mol
Exact Mass513.29
IUPAC Name6-[2-[(5-chloro-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
SMILESCC.CCCN(CCC)c1cc(N)nc(OCCOc2ccc(Cl)cn2)c1.[H]/N=C/c1cccc(C)c1
InChIInChI=1S/C18H25ClN4O2.C8H9N.C2H6/c1-3-7-23(8-4-2)15-11-16(20)22-18(12-15)25-10-9-24-17-6-5-14(19)13-21-17;1-7-3-2-4-8(5-7)6-9;1-2/h5-6,11-13H,3-4,7-10H2,1-2H3,(H2,20,22);2-6,9H,1H3;1-2H3/b;9-6+;
InChIKeyUCVYTVNXDRSAGH-YJXWIHHLSA-N
XLogP6.82
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.11
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-N,4-N-dipropyl-6-(2-pyrrolidin-1-ylethoxy)pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
CID 143340651
4-N,4-N-dipropyl-6-[2-(1,3-thiazol-2-yl)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
CID 143340727
4-N,4-N-dipropyl-6-[2-(pyridin-2-ylamino)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
CID 143450334
ethane;6-[2-[(5-propoxy-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341509
ethane;3-methanimidoyl-N-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341036
4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane
CID 143341149
ethane;6-[2-(2-methoxyethoxy)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143846971
ethane;2-methanimidoyl-4-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341673
6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 89331892
ethane;6-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143450300
6-ethoxy-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143340794
6-[2-(3,4-dimethoxyphenyl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143450233

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(5-chloro-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine?
The IUPAC name of 6-[2-[(5-chloro-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine (CID 143341441) is 6-[2-[(5-chloro-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine.
What is the SMILES notation for 6-[2-[(5-chloro-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine?
The canonical SMILES for 6-[2-[(5-chloro-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine is CC.CCCN(CCC)c1cc(N)nc(OCCOc2ccc(Cl)cn2)c1.[H]/N=C/c1cccc(C)c1.
What is the InChIKey of 6-[2-[(5-chloro-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine?
The InChIKey is UCVYTVNXDRSAGH-YJXWIHHLSA-N. The full InChI is InChI=1S/C18H25ClN4O2.C8H9N.C2H6/c1-3-7-23(8-4-2)15-11-16(20)22-18(12-15)25-10-9-24-17-6-5-14(19)13-21-17;1-7-3-2-4-8(5-7)6-9;1-2/h5-6,11-13H,3-4,7-10H2,1-2H3,(H2,20,22);2-6,9H,1H3;1-2H3/b;9-6+;.
What are the key properties of 6-[2-[(5-chloro-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine?
6-[2-[(5-chloro-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine has a molecular weight of 514.11 g/mol, XLogP of 6.82, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(5-chloro-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine is sourced from PubChem (CID 143341441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).