N-(2,5-dimethylphenyl)-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide

C25H25N3O2 — CID 53164282

IUPACN-(2,5-dimethylphenyl)-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2ccc3ccn(Cc4ccccc4C)c3c2=O)c1
InChIInChI=1S/C25H25N3O2/c1-17-8-9-19(3)22(14-17)26-23(29)16-28-13-11-20-10-12-27(24(20)25(28)30)15-21-7-5-4-6-18(21)2/h4-14H,15-16H2,1-3H3,(H,26,29)
InChIKeyKAPLRQZOGDPXSS-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.42
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide

N-(2,5-dimethylphenyl)-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide (PubChem CID 53164282) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
PubChem CID53164282
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-(2,5-dimethylphenyl)-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2ccc3ccn(Cc4ccccc4C)c3c2=O)c1
InChIInChI=1S/C25H25N3O2/c1-17-8-9-19(3)22(14-17)26-23(29)16-28-13-11-20-10-12-27(24(20)25(28)30)15-21-7-5-4-6-18(21)2/h4-14H,15-16H2,1-3H3,(H,26,29)
InChIKeyKAPLRQZOGDPXSS-UHFFFAOYSA-N
XLogP4.42
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164256
methyl 2-[[2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetyl]amino]benzoate
CID 53164273
2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 52906420
N-(2,5-dimethylphenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7597915
N-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 52906439
1-(2,5-dimethylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951469
N-(2,5-dimethylphenyl)-2-(5-ethyl-4-oxopyrrolo[3,2-c]pyridin-1-yl)acetamide
CID 46395562
N-(2,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598638
2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-bromophenyl)acetamide
CID 52906421
N-(2,5-dimethylphenyl)-2-(5-propan-2-ylindol-1-yl)acetamide
CID 110830986
N-[(4-methylphenyl)methyl]-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 52906423
N-(3-chlorophenyl)-2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 52906452

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide (CID 53164282) is N-(2,5-dimethylphenyl)-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide is Cc1ccc(C)c(NC(=O)Cn2ccc3ccn(Cc4ccccc4C)c3c2=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?
The InChIKey is KAPLRQZOGDPXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-17-8-9-19(3)22(14-17)26-23(29)16-28-13-11-20-10-12-27(24(20)25(28)30)15-21-7-5-4-6-18(21)2/h4-14H,15-16H2,1-3H3,(H,26,29).
What are the key properties of N-(2,5-dimethylphenyl)-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide has a molecular weight of 399.49 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 53164282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).