2-(2-amino-4-pyridinyl)-3-anilino-6-methyl-1,5,6,7-tetrahydroindol-4-one

C20H20N4O — CID 134582000

IUPAC2-(2-amino-4-pyridinyl)-3-anilino-6-methyl-1,5,6,7-tetrahydroindol-4-one
SMILESCC1CC(=O)c2c([nH]c(-c3ccnc(N)c3)c2Nc2ccccc2)C1
InChIInChI=1S/C20H20N4O/c1-12-9-15-18(16(25)10-12)20(23-14-5-3-2-4-6-14)19(24-15)13-7-8-22-17(21)11-13/h2-8,11-12,23-24H,9-10H2,1H3,(H2,21,22)
InChIKeyZYVSZUKPUPFRDF-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.17
Rot. Bonds3

About 2-(2-amino-4-pyridinyl)-3-anilino-6-methyl-1,5,6,7-tetrahydroindol-4-one

2-(2-amino-4-pyridinyl)-3-anilino-6-methyl-1,5,6,7-tetrahydroindol-4-one (PubChem CID 134582000) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-3-anilino-6-methyl-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-3-anilino-6-methyl-1,5,6,7-tetrahydroindol-4-one
PubChem CID134582000
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-(2-amino-4-pyridinyl)-3-anilino-6-methyl-1,5,6,7-tetrahydroindol-4-one
SMILESCC1CC(=O)c2c([nH]c(-c3ccnc(N)c3)c2Nc2ccccc2)C1
InChIInChI=1S/C20H20N4O/c1-12-9-15-18(16(25)10-12)20(23-14-5-3-2-4-6-14)19(24-15)13-7-8-22-17(21)11-13/h2-8,11-12,23-24H,9-10H2,1H3,(H2,21,22)
InChIKeyZYVSZUKPUPFRDF-UHFFFAOYSA-N
XLogP4.17
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2-amino-4-pyridinyl)-3-anilino-6-methyl-1,5,6,7-tetrahydroindol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3-anilino-6-methyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-fluoro-2-methylpropanamide
CID 134582075
2-(2-amino-4-pyridinyl)-3-(4-fluoroanilino)-6-propan-2-yl-1,5,6,7-tetrahydroindol-4-one
CID 118607324
(7aR)-2-(2-amino-4-pyridinyl)-3-anilino-5,5-dimethyl-4a,6,7,7a-tetrahydro-1H-pentaleno[1,2-b]pyrrol-4-one
CID 126559682
N-[4-[3-anilino-6-(hydroxymethyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide;ethane;formaldehyde
CID 145208929
3-anilino-2-(2-chloro-4-pyridinyl)-6,6-dimethyl-5,7-dihydro-1H-indol-4-one
CID 118606742
N-[4-[3-anilino-6-(4-hydroxybutyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide
CID 146516114
[3-anilino-2-[2-(methanesulfonamido)-4-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindol-6-yl]methyl methanesulfonate
CID 134582079
3-anilino-2-[2-(dimethylamino)-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-indol-4-one
CID 118606744
3-anilino-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-6-methyl-1,5,6,7-tetrahydroindol-4-one
CID 134582015
N-[(3-anilino-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-6-yl)methyl]acetamide
CID 134563179
(2S)-2-amino-N-[(3-anilino-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-6-yl)methyl]propanamide
CID 134563216
3-anilino-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one
CID 118607277

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-3-anilino-6-methyl-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 2-(2-amino-4-pyridinyl)-3-anilino-6-methyl-1,5,6,7-tetrahydroindol-4-one (CID 134582000) is 2-(2-amino-4-pyridinyl)-3-anilino-6-methyl-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-3-anilino-6-methyl-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-3-anilino-6-methyl-1,5,6,7-tetrahydroindol-4-one is CC1CC(=O)c2c([nH]c(-c3ccnc(N)c3)c2Nc2ccccc2)C1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-3-anilino-6-methyl-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is ZYVSZUKPUPFRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-12-9-15-18(16(25)10-12)20(23-14-5-3-2-4-6-14)19(24-15)13-7-8-22-17(21)11-13/h2-8,11-12,23-24H,9-10H2,1H3,(H2,21,22).
What are the key properties of 2-(2-amino-4-pyridinyl)-3-anilino-6-methyl-1,5,6,7-tetrahydroindol-4-one?
2-(2-amino-4-pyridinyl)-3-anilino-6-methyl-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 332.41 g/mol, XLogP of 4.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-3-anilino-6-methyl-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 134582000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).