N-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide

C25H25N3O3 — CID 52906439

IUPACN-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2ccc3ccn(Cc4ccccc4C)c3c2=O)cc1
InChIInChI=1S/C25H25N3O3/c1-18-5-3-4-6-21(18)16-27-13-11-20-12-14-28(25(30)24(20)27)17-23(29)26-15-19-7-9-22(31-2)10-8-19/h3-14H,15-17H2,1-2H3,(H,26,29)
InChIKeyOZWAQAQIMXQEEW-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.48
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide

N-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide (PubChem CID 52906439) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
PubChem CID52906439
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2ccc3ccn(Cc4ccccc4C)c3c2=O)cc1
InChIInChI=1S/C25H25N3O3/c1-18-5-3-4-6-21(18)16-27-13-11-20-12-14-28(25(30)24(20)27)17-23(29)26-15-19-7-9-22(31-2)10-8-19/h3-14H,15-17H2,1-2H3,(H,26,29)
InChIKeyOZWAQAQIMXQEEW-UHFFFAOYSA-N
XLogP3.48
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetyl]amino]benzoate
CID 53164273
2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 46395148
2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]-N-(4-methoxyphenyl)acetamide
CID 53164302
N-[(4-methylphenyl)methyl]-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 52906423
2-(7-methoxyindol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 39348357
N-(2,5-dimethylphenyl)-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164282
N-[(4-methoxyphenyl)methyl]-2-[5-[(2-methylphenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
CID 20892021
N-[(2-methoxyphenyl)methyl]-2-(1-oxoisoquinolin-2-yl)acetamide
CID 4171042
N-[(2-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164249
2-[(4-methoxyphenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 53279657
N-[(3,4-dimethylphenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide
CID 53164211

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide (CID 52906439) is N-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide is COc1ccc(CNC(=O)Cn2ccc3ccn(Cc4ccccc4C)c3c2=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?
The InChIKey is OZWAQAQIMXQEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-18-5-3-4-6-21(18)16-27-13-11-20-12-14-28(25(30)24(20)27)17-23(29)26-15-19-7-9-22(31-2)10-8-19/h3-14H,15-17H2,1-2H3,(H,26,29).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?
N-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide has a molecular weight of 415.49 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 52906439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).