6-(1-ethoxyethenyl)-3-(2-methylpropanimidoyl)-4-(4-morpholin-4-ylphenyl)pyridin-2-amine

C23H30N4O2 — CID 129033553

IUPAC6-(1-ethoxyethenyl)-3-(2-methylpropanimidoyl)-4-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILES[H]/N=C(/c1c(-c2ccc(N3CCOCC3)cc2)cc(C(=C)OCC)nc1N)C(C)C
InChIInChI=1S/C23H30N4O2/c1-5-29-16(4)20-14-19(21(23(25)26-20)22(24)15(2)3)17-6-8-18(9-7-17)27-10-12-28-13-11-27/h6-9,14-15,24H,4-5,10-13H2,1-3H3,(H2,25,26)/b24-22+
InChIKeyCGRLPIHQJWXPBV-ZNTNEXAZSA-N
MW394.52 g/mol
LogP4.20
Rot. Bonds7

About 6-(1-ethoxyethenyl)-3-(2-methylpropanimidoyl)-4-(4-morpholin-4-ylphenyl)pyridin-2-amine

6-(1-ethoxyethenyl)-3-(2-methylpropanimidoyl)-4-(4-morpholin-4-ylphenyl)pyridin-2-amine (PubChem CID 129033553) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 6-(1-ethoxyethenyl)-3-(2-methylpropanimidoyl)-4-(4-morpholin-4-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(1-ethoxyethenyl)-3-(2-methylpropanimidoyl)-4-(4-morpholin-4-ylphenyl)pyridin-2-amine
PubChem CID129033553
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name6-(1-ethoxyethenyl)-3-(2-methylpropanimidoyl)-4-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILES[H]/N=C(/c1c(-c2ccc(N3CCOCC3)cc2)cc(C(=C)OCC)nc1N)C(C)C
InChIInChI=1S/C23H30N4O2/c1-5-29-16(4)20-14-19(21(23(25)26-20)22(24)15(2)3)17-6-8-18(9-7-17)27-10-12-28-13-11-27/h6-9,14-15,24H,4-5,10-13H2,1-3H3,(H2,25,26)/b24-22+
InChIKeyCGRLPIHQJWXPBV-ZNTNEXAZSA-N
XLogP4.20
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-(3,5-difluoroanilino)-5-(2-methylpropanimidoyl)-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylate
CID 129033384
ethyl 6-[[1-(cyanomethyl)pyrrolidin-3-yl]amino]-5-(2-methylpropanimidoyl)-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylate
CID 129033597
ethyl 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742917
[3-ethanimidoyl-6-ethoxycarbonyl-4-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)phenyl]-2-pyridinyl]-phenylazanium
CID 145290249
6-(cyclohexylamino)-5-(2-methylpropanimidoyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)pyridine-2-carboxylic acid
CID 129023727
4-[4-(6-ethyl-5-methyl-2-pyridinyl)phenyl]morpholine
CID 121495176
6-(3-chloroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid
CID 145290475
4-[4-[2-methoxyethyl(methyl)amino]phenyl]-5-(2-methylpropanimidoyl)-6-(3-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid
CID 145290695
ethyl 6-anilino-4-[4-(4-tert-butylpiperazin-1-yl)phenyl]-5-ethanimidoylpyridine-2-carboxylate
CID 129033707
ethyl 6-(cyclohexylamino)-5-(2-methylpropanimidoyl)-4-(2-methylpyrazol-3-yl)pyridine-2-carboxylate
CID 129033621
ethyl 2-[amino-[3-[[2-amino-5-chloro-6-(4-morpholin-4-ylphenyl)-3-pyridinyl]amino]-3-oxopropanoyl]amino]acetate
CID 129055368
ethyl 2-[2-(aminomethyl)-4-morpholin-4-ylanilino]propanoate
CID 174467561

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethoxyethenyl)-3-(2-methylpropanimidoyl)-4-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The IUPAC name of 6-(1-ethoxyethenyl)-3-(2-methylpropanimidoyl)-4-(4-morpholin-4-ylphenyl)pyridin-2-amine (CID 129033553) is 6-(1-ethoxyethenyl)-3-(2-methylpropanimidoyl)-4-(4-morpholin-4-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 6-(1-ethoxyethenyl)-3-(2-methylpropanimidoyl)-4-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The canonical SMILES for 6-(1-ethoxyethenyl)-3-(2-methylpropanimidoyl)-4-(4-morpholin-4-ylphenyl)pyridin-2-amine is [H]/N=C(/c1c(-c2ccc(N3CCOCC3)cc2)cc(C(=C)OCC)nc1N)C(C)C.
What is the InChIKey of 6-(1-ethoxyethenyl)-3-(2-methylpropanimidoyl)-4-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The InChIKey is CGRLPIHQJWXPBV-ZNTNEXAZSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-5-29-16(4)20-14-19(21(23(25)26-20)22(24)15(2)3)17-6-8-18(9-7-17)27-10-12-28-13-11-27/h6-9,14-15,24H,4-5,10-13H2,1-3H3,(H2,25,26)/b24-22+.
What are the key properties of 6-(1-ethoxyethenyl)-3-(2-methylpropanimidoyl)-4-(4-morpholin-4-ylphenyl)pyridin-2-amine?
6-(1-ethoxyethenyl)-3-(2-methylpropanimidoyl)-4-(4-morpholin-4-ylphenyl)pyridin-2-amine has a molecular weight of 394.52 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethoxyethenyl)-3-(2-methylpropanimidoyl)-4-(4-morpholin-4-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 129033553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).