N-(2-carbamoylphenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide

C22H21N3O5 — CID 7599441

IUPACN-(2-carbamoylphenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCOc1cc(Cn2cccc(C(=O)Nc3ccccc3C(N)=O)c2=O)cc(OC)c1
InChIInChI=1S/C22H21N3O5/c1-29-15-10-14(11-16(12-15)30-2)13-25-9-5-7-18(22(25)28)21(27)24-19-8-4-3-6-17(19)20(23)26/h3-12H,13H2,1-2H3,(H2,23,26)(H,24,27)
InChIKeyVCBANNZPJFMVGI-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.27
Rot. Bonds7

About N-(2-carbamoylphenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide

N-(2-carbamoylphenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 7599441) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID7599441
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC NameN-(2-carbamoylphenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCOc1cc(Cn2cccc(C(=O)Nc3ccccc3C(N)=O)c2=O)cc(OC)c1
InChIInChI=1S/C22H21N3O5/c1-29-15-10-14(11-16(12-15)30-2)13-25-9-5-7-18(22(25)28)21(27)24-19-8-4-3-6-17(19)20(23)26/h3-12H,13H2,1-2H3,(H2,23,26)(H,24,27)
InChIKeyVCBANNZPJFMVGI-UHFFFAOYSA-N
XLogP2.27
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyanophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599376
N-(2,4-difluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599382
N-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382898
N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599387
N-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382606
N-(2,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382915
ethyl 2-[[1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 110382640
N-(2,4-dimethoxyphenyl)-1-[(4-ethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382645
1-[(4-chlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7598073
1-[(4-bromophenyl)methyl]-N-(2,5-dimethoxyphenyl)-2-oxopyridine-3-carboxamide
CID 26843789
methyl 2-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7597894
N-(2-carbamoylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 110382870

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide (CID 7599441) is N-(2-carbamoylphenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide is COc1cc(Cn2cccc(C(=O)Nc3ccccc3C(N)=O)c2=O)cc(OC)c1.
What is the InChIKey of N-(2-carbamoylphenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is VCBANNZPJFMVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-29-15-10-14(11-16(12-15)30-2)13-25-9-5-7-18(22(25)28)21(27)24-19-8-4-3-6-17(19)20(23)26/h3-12H,13H2,1-2H3,(H2,23,26)(H,24,27).
What are the key properties of N-(2-carbamoylphenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide?
N-(2-carbamoylphenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7599441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).