5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide

C23H31N3O5 — CID 42368008

IUPAC5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2cn(C(C)C)cc(C(=O)NCC(C)C)c2=O)cc1OC
InChIInChI=1S/C23H31N3O5/c1-14(2)10-24-22(28)17-12-26(15(3)4)13-18(21(17)27)23(29)25-11-16-7-8-19(30-5)20(9-16)31-6/h7-9,12-15H,10-11H2,1-6H3,(H,24,28)(H,25,29)
InChIKeyLDFFCNATPDHYNY-UHFFFAOYSA-N
MW429.52 g/mol
LogP2.76
Rot. Bonds9

About 5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide

5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide (PubChem CID 42368008) has the molecular formula C23H31N3O5 and a molecular weight of 429.52 g/mol. Its IUPAC name is 5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
PubChem CID42368008
Molecular FormulaC23H31N3O5
Molecular Weight429.52 g/mol
Exact Mass429.23
IUPAC Name5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2cn(C(C)C)cc(C(=O)NCC(C)C)c2=O)cc1OC
InChIInChI=1S/C23H31N3O5/c1-14(2)10-24-22(28)17-12-26(15(3)4)13-18(21(17)27)23(29)25-11-16-7-8-19(30-5)20(9-16)31-6/h7-9,12-15H,10-11H2,1-6H3,(H,24,28)(H,25,29)
InChIKeyLDFFCNATPDHYNY-UHFFFAOYSA-N
XLogP2.76
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide
CID 92532211
N-[(3,4-dimethoxyphenyl)methyl]-2,4-di(propan-2-yl)benzamide
CID 9404018
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248678
N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762676
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 51143121
2,3-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide
CID 100531207
N-[(3,4-dimethoxyphenyl)methyl]-1-methylindole-4-carboxamide
CID 45490502
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165743
N-[(3,4-dimethoxyphenyl)methyl]-4-sulfanylbenzamide
CID 107023018
N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 51305032
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide
CID 3102524

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide (CID 42368008) is 5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide is COc1ccc(CNC(=O)c2cn(C(C)C)cc(C(=O)NCC(C)C)c2=O)cc1OC.
What is the InChIKey of 5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
The InChIKey is LDFFCNATPDHYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5/c1-14(2)10-24-22(28)17-12-26(15(3)4)13-18(21(17)27)23(29)25-11-16-7-8-19(30-5)20(9-16)31-6/h7-9,12-15H,10-11H2,1-6H3,(H,24,28)(H,25,29).
What are the key properties of 5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide has a molecular weight of 429.52 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 42368008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).