4-amino-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-methoxy-5-[(4-propylcyclohexyl)iminomethyl]benzamide;ethane

C28H40N4O3 — CID 177065302

IUPAC4-amino-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-methoxy-5-[(4-propylcyclohexyl)iminomethyl]benzamide;ethane
SMILESCC.CCCC1CCC(/N=C/c2cc(C(=O)Nc3cccn(C4CC4)c3=O)c(OC)cc2N)CC1
InChIInChI=1S/C26H34N4O3.C2H6/c1-3-5-17-7-9-19(10-8-17)28-16-18-14-21(24(33-2)15-22(18)27)25(31)29-23-6-4-13-30(26(23)32)20-11-12-20;1-2/h4,6,13-17,19-20H,3,5,7-12,27H2,1-2H3,(H,29,31);1-2H3/b28-16+;
InChIKeyIENCPGLCFRWFNH-HRRMWDOSSA-N
MW480.65 g/mol
LogP5.83
Rot. Bonds8

About 4-amino-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-methoxy-5-[(4-propylcyclohexyl)iminomethyl]benzamide;ethane

4-amino-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-methoxy-5-[(4-propylcyclohexyl)iminomethyl]benzamide;ethane (PubChem CID 177065302) has the molecular formula C28H40N4O3 and a molecular weight of 480.65 g/mol. Its IUPAC name is 4-amino-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-methoxy-5-[(4-propylcyclohexyl)iminomethyl]benzamide;ethane.

Molecular Properties

Compound Name4-amino-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-methoxy-5-[(4-propylcyclohexyl)iminomethyl]benzamide;ethane
PubChem CID177065302
Molecular FormulaC28H40N4O3
Molecular Weight480.65 g/mol
Exact Mass480.31
IUPAC Name4-amino-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-methoxy-5-[(4-propylcyclohexyl)iminomethyl]benzamide;ethane
SMILESCC.CCCC1CCC(/N=C/c2cc(C(=O)Nc3cccn(C4CC4)c3=O)c(OC)cc2N)CC1
InChIInChI=1S/C26H34N4O3.C2H6/c1-3-5-17-7-9-19(10-8-17)28-16-18-14-21(24(33-2)15-22(18)27)25(31)29-23-6-4-13-30(26(23)32)20-11-12-20;1-2/h4,6,13-17,19-20H,3,5,7-12,27H2,1-2H3,(H,29,31);1-2H3/b28-16+;
InChIKeyIENCPGLCFRWFNH-HRRMWDOSSA-N
XLogP5.83
TPSA98.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.65
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-methoxy-5-[(4-propylcyclohexyl)iminomethyl]benzamide;ethane?
The IUPAC name of 4-amino-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-methoxy-5-[(4-propylcyclohexyl)iminomethyl]benzamide;ethane (CID 177065302) is 4-amino-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-methoxy-5-[(4-propylcyclohexyl)iminomethyl]benzamide;ethane.
What is the SMILES notation for 4-amino-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-methoxy-5-[(4-propylcyclohexyl)iminomethyl]benzamide;ethane?
The canonical SMILES for 4-amino-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-methoxy-5-[(4-propylcyclohexyl)iminomethyl]benzamide;ethane is CC.CCCC1CCC(/N=C/c2cc(C(=O)Nc3cccn(C4CC4)c3=O)c(OC)cc2N)CC1.
What is the InChIKey of 4-amino-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-methoxy-5-[(4-propylcyclohexyl)iminomethyl]benzamide;ethane?
The InChIKey is IENCPGLCFRWFNH-HRRMWDOSSA-N. The full InChI is InChI=1S/C26H34N4O3.C2H6/c1-3-5-17-7-9-19(10-8-17)28-16-18-14-21(24(33-2)15-22(18)27)25(31)29-23-6-4-13-30(26(23)32)20-11-12-20;1-2/h4,6,13-17,19-20H,3,5,7-12,27H2,1-2H3,(H,29,31);1-2H3/b28-16+;.
What are the key properties of 4-amino-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-methoxy-5-[(4-propylcyclohexyl)iminomethyl]benzamide;ethane?
4-amino-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-methoxy-5-[(4-propylcyclohexyl)iminomethyl]benzamide;ethane has a molecular weight of 480.65 g/mol, XLogP of 5.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-methoxy-5-[(4-propylcyclohexyl)iminomethyl]benzamide;ethane is sourced from PubChem (CID 177065302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).