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

C19H21N3O2 — CID 53164211

IUPACN-[(3,4-dimethylphenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide
SMILESCc1ccc(CNC(=O)Cn2ccc3ccn(C)c3c2=O)cc1C
InChIInChI=1S/C19H21N3O2/c1-13-4-5-15(10-14(13)2)11-20-17(23)12-22-9-7-16-6-8-21(3)18(16)19(22)24/h4-10H,11-12H2,1-3H3,(H,20,23)
InChIKeyMNQUZWJLVBPIIJ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.27
Rot. Bonds4

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

N-[(3,4-dimethylphenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide (PubChem CID 53164211) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide
PubChem CID53164211
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide
SMILESCc1ccc(CNC(=O)Cn2ccc3ccn(C)c3c2=O)cc1C
InChIInChI=1S/C19H21N3O2/c1-13-4-5-15(10-14(13)2)11-20-17(23)12-22-9-7-16-6-8-21(3)18(16)19(22)24/h4-10H,11-12H2,1-3H3,(H,20,23)
InChIKeyMNQUZWJLVBPIIJ-UHFFFAOYSA-N
XLogP2.27
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide (CID 53164211) is N-[(3,4-dimethylphenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide is Cc1ccc(CNC(=O)Cn2ccc3ccn(C)c3c2=O)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide?
The InChIKey is MNQUZWJLVBPIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-4-5-15(10-14(13)2)11-20-17(23)12-22-9-7-16-6-8-21(3)18(16)19(22)24/h4-10H,11-12H2,1-3H3,(H,20,23).
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide?
N-[(3,4-dimethylphenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide is sourced from PubChem (CID 53164211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).