N-[(2-ethoxyphenyl)methyl]-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide

C24H23N3O3 — CID 171637956

IUPACN-[(2-ethoxyphenyl)methyl]-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(-c2cn(C)c(=O)c3[nH]ccc23)cc1
InChIInChI=1S/C24H23N3O3/c1-3-30-21-7-5-4-6-18(21)14-26-23(28)17-10-8-16(9-11-17)20-15-27(2)24(29)22-19(20)12-13-25-22/h4-13,15,25H,3,14H2,1-2H3,(H,26,28)
InChIKeyOWQRLYPHBSJZPB-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.86
Rot. Bonds6

About N-[(2-ethoxyphenyl)methyl]-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide

N-[(2-ethoxyphenyl)methyl]-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide (PubChem CID 171637956) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide
PubChem CID171637956
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-[(2-ethoxyphenyl)methyl]-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(-c2cn(C)c(=O)c3[nH]ccc23)cc1
InChIInChI=1S/C24H23N3O3/c1-3-30-21-7-5-4-6-18(21)14-26-23(28)17-10-8-16(9-11-17)20-15-27(2)24(29)22-19(20)12-13-25-22/h4-13,15,25H,3,14H2,1-2H3,(H,26,28)
InChIKeyOWQRLYPHBSJZPB-UHFFFAOYSA-N
XLogP3.86
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
N-[(2-ethoxyphenyl)methyl]-4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide
CID 50815625
N-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide
CID 87051481
N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 47367776
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 46091776
N-[(2-ethoxyphenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186550
N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
CID 60565957
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 46091871
N-[(2-ethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 28564417
2-[2-[(2-ethoxyphenyl)methylamino]-2-oxoethyl]-1,4-dimethylpyrrole-3-carboxylic acid
CID 53095874
3-acetamido-N-[(2-ethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide
CID 4291445
4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 53287191

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide (CID 171637956) is N-[(2-ethoxyphenyl)methyl]-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide is CCOc1ccccc1CNC(=O)c1ccc(-c2cn(C)c(=O)c3[nH]ccc23)cc1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide?
The InChIKey is OWQRLYPHBSJZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-3-30-21-7-5-4-6-18(21)14-26-23(28)17-10-8-16(9-11-17)20-15-27(2)24(29)22-19(20)12-13-25-22/h4-13,15,25H,3,14H2,1-2H3,(H,26,28).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide?
N-[(2-ethoxyphenyl)methyl]-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide has a molecular weight of 401.47 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide is sourced from PubChem (CID 171637956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).