4-(4-aminophenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

C14H13N3O — CID 121334596

IUPAC4-(4-aminophenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(-c2ccc(N)cc2)c2cc[nH]c2c1=O
InChIInChI=1S/C14H13N3O/c1-17-8-12(9-2-4-10(15)5-3-9)11-6-7-16-13(11)14(17)18/h2-8,16H,15H2,1H3
InChIKeyKYXWJILQVLMYDH-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.12
Rot. Bonds1

About 4-(4-aminophenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

4-(4-aminophenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 121334596) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(4-aminophenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-(4-aminophenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID121334596
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-(4-aminophenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(-c2ccc(N)cc2)c2cc[nH]c2c1=O
InChIInChI=1S/C14H13N3O/c1-17-8-12(9-2-4-10(15)5-3-9)11-6-7-16-13(11)14(17)18/h2-8,16H,15H2,1H3
InChIKeyKYXWJILQVLMYDH-UHFFFAOYSA-N
XLogP2.12
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-phenylbenzamide
CID 121334604
6-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121334626
4-[5-amino-2-(3-methyl-4-oxo-1-pyridinyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 146323059
6-methyl-4-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121334620
6-methyl-4-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one;molecular hydrogen
CID 145081735
4-methyl-7-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 121334630
1,1-dimethyl-3-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]urea
CID 169215153
6-methyl-4-(2-methyl-3H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-c]pyridin-7-one
CID 160860942
4-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 134258787
N-[(2-ethoxyphenyl)methyl]-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide
CID 171637956
4-[5-(2-hydroxyphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 155234596
4-[4-[(1R)-1-aminoethyl]phenyl]-2-methylisoquinolin-1-one
CID 134258771

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-(4-aminophenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 121334596) is 4-(4-aminophenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-(4-aminophenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-(4-aminophenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is Cn1cc(-c2ccc(N)cc2)c2cc[nH]c2c1=O.
What is the InChIKey of 4-(4-aminophenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is KYXWJILQVLMYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-17-8-12(9-2-4-10(15)5-3-9)11-6-7-16-13(11)14(17)18/h2-8,16H,15H2,1H3.
What are the key properties of 4-(4-aminophenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
4-(4-aminophenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 239.28 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 121334596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).