3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide

C26H24N2O4 — CID 46554584

IUPAC3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
SMILESCOc1ccc2c(C)c(CCC(=O)NC(c3ccccc3)c3ccccn3)c(=O)oc2c1
InChIInChI=1S/C26H24N2O4/c1-17-20-12-11-19(31-2)16-23(20)32-26(30)21(17)13-14-24(29)28-25(18-8-4-3-5-9-18)22-10-6-7-15-27-22/h3-12,15-16,25H,13-14H2,1-2H3,(H,28,29)
InChIKeyKONUAAVWUQPOIT-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.34
Rot. Bonds7

About 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide

3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide (PubChem CID 46554584) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
PubChem CID46554584
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
SMILESCOc1ccc2c(C)c(CCC(=O)NC(c3ccccc3)c3ccccn3)c(=O)oc2c1
InChIInChI=1S/C26H24N2O4/c1-17-20-12-11-19(31-2)16-23(20)32-26(30)21(17)13-14-24(29)28-25(18-8-4-3-5-9-18)22-10-6-7-15-27-22/h3-12,15-16,25H,13-14H2,1-2H3,(H,28,29)
InChIKeyKONUAAVWUQPOIT-UHFFFAOYSA-N
XLogP4.34
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-pyridin-4-ylethyl)propanamide
CID 51272048
(2S)-2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]butanoic acid
CID 907925
(2R)-2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]butanoate
CID 7086444
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 27153042
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 16604979
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide
CID 51297554
N-[(2R)-1-(1H-imidazol-5-yl)-3-phenylpropan-2-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 97067383
N-(2-amino-1-cyclopropylethyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 119613652
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-[[2-(methoxymethyl)phenyl]methyl]propanamide
CID 32605712
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 42924068
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide?
The IUPAC name of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide (CID 46554584) is 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide?
The canonical SMILES for 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide is COc1ccc2c(C)c(CCC(=O)NC(c3ccccc3)c3ccccn3)c(=O)oc2c1.
What is the InChIKey of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide?
The InChIKey is KONUAAVWUQPOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-17-20-12-11-19(31-2)16-23(20)32-26(30)21(17)13-14-24(29)28-25(18-8-4-3-5-9-18)22-10-6-7-15-27-22/h3-12,15-16,25H,13-14H2,1-2H3,(H,28,29).
What are the key properties of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide?
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide has a molecular weight of 428.49 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide is sourced from PubChem (CID 46554584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).