N-(2,5-dimethylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide

C19H21N3O2 — CID 53134408

IUPACN-(2,5-dimethylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCCn1ccc2c(cc(C(=O)Nc3cc(C)ccc3C)n2C)c1=O
InChIInChI=1S/C19H21N3O2/c1-5-22-9-8-16-14(19(22)24)11-17(21(16)4)18(23)20-15-10-12(2)6-7-13(15)3/h6-11H,5H2,1-4H3,(H,20,23)
InChIKeyDHYNDAVSPBTKDE-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.23
Rot. Bonds3

About N-(2,5-dimethylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide

N-(2,5-dimethylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 53134408) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID53134408
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-(2,5-dimethylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCCn1ccc2c(cc(C(=O)Nc3cc(C)ccc3C)n2C)c1=O
InChIInChI=1S/C19H21N3O2/c1-5-22-9-8-16-14(19(22)24)11-17(21(16)4)18(23)20-15-10-12(2)6-7-13(15)3/h6-11H,5H2,1-4H3,(H,20,23)
InChIKeyDHYNDAVSPBTKDE-UHFFFAOYSA-N
XLogP3.23
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-1-methyl-N-(4-methylphenyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
CID 53134440
N-(3-chloro-4-methylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
CID 53134407
N-(2,5-dimethylphenyl)-2-(5-ethyl-4-oxopyrrolo[3,2-c]pyridin-1-yl)acetamide
CID 46395562
N-cyclopropyl-1-methyl-5-(2-methylpropyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
CID 46395663
6-benzyl-N-(2,5-dimethylphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 20947019
N-(2,5-dimethylphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068882
N-(2,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598638
N-(2,5-dimethylphenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7597915
2-(6-chloro-4-oxoquinolin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 100734930
N-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54677434
N-(5-chloro-2-methylphenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 3682298
2-(6-bromo-4-oxoquinolin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 100736460

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide (CID 53134408) is N-(2,5-dimethylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide is CCn1ccc2c(cc(C(=O)Nc3cc(C)ccc3C)n2C)c1=O.
What is the InChIKey of N-(2,5-dimethylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is DHYNDAVSPBTKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-5-22-9-8-16-14(19(22)24)11-17(21(16)4)18(23)20-15-10-12(2)6-7-13(15)3/h6-11H,5H2,1-4H3,(H,20,23).
What are the key properties of N-(2,5-dimethylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
N-(2,5-dimethylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53134408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).