3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-N-(pyridin-2-ylmethyl)benzamide

C27H25N3O5 — CID 55783619

IUPAC3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccc2c(C)c(CCC(=O)Nc3cccc(C(=O)NCc4ccccn4)c3)c(=O)oc2c1
InChIInChI=1S/C27H25N3O5/c1-17-22-10-9-21(34-2)15-24(22)35-27(33)23(17)11-12-25(31)30-19-8-5-6-18(14-19)26(32)29-16-20-7-3-4-13-28-20/h3-10,13-15H,11-12,16H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyBOLKBDGJQDIPIK-UHFFFAOYSA-N
MW471.51 g/mol
LogP4.01
Rot. Bonds8

About 3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-N-(pyridin-2-ylmethyl)benzamide

3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 55783619) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is 3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID55783619
Molecular FormulaC27H25N3O5
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC Name3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccc2c(C)c(CCC(=O)Nc3cccc(C(=O)NCc4ccccn4)c3)c(=O)oc2c1
InChIInChI=1S/C27H25N3O5/c1-17-22-10-9-21(34-2)15-24(22)35-27(33)23(17)11-12-25(31)30-19-8-5-6-18(14-19)26(32)29-16-20-7-3-4-13-28-20/h3-10,13-15H,11-12,16H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyBOLKBDGJQDIPIK-UHFFFAOYSA-N
XLogP4.01
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzamide
CID 55462019
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide
CID 51297554
N-(3-cyanophenyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 51271966
dimethyl 5-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzene-1,3-dicarboxylate
CID 46650496
2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55783848
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4914211
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 46554584
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 34464629
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]propanamide
CID 32605712
3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 55783941
ethyl 3-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzoate
CID 6237174
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095

Frequently Asked Questions

What is the IUPAC name of 3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-N-(pyridin-2-ylmethyl)benzamide (CID 55783619) is 3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-N-(pyridin-2-ylmethyl)benzamide is COc1ccc2c(C)c(CCC(=O)Nc3cccc(C(=O)NCc4ccccn4)c3)c(=O)oc2c1.
What is the InChIKey of 3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is BOLKBDGJQDIPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O5/c1-17-22-10-9-21(34-2)15-24(22)35-27(33)23(17)11-12-25(31)30-19-8-5-6-18(14-19)26(32)29-16-20-7-3-4-13-28-20/h3-10,13-15H,11-12,16H2,1-2H3,(H,29,32)(H,30,31).
What are the key properties of 3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-N-(pyridin-2-ylmethyl)benzamide?
3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 471.51 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 55783619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).