[5-amino-4-(N-methyl-C-phenylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]-(4-chloro-1H-indol-3-yl)methanone

C22H21ClN4O — CID 146515549

IUPAC[5-amino-4-(N-methyl-C-phenylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]-(4-chloro-1H-indol-3-yl)methanone
SMILESC/N=C(/C1=C(N)CN(C(=O)c2c[nH]c3cccc(Cl)c23)CC1)c1ccccc1
InChIInChI=1S/C22H21ClN4O/c1-25-21(14-6-3-2-4-7-14)15-10-11-27(13-18(15)24)22(28)16-12-26-19-9-5-8-17(23)20(16)19/h2-9,12,26H,10-11,13,24H2,1H3/b25-21+
InChIKeyXNAXOFSCIUGSQZ-NJNXFGOHSA-N
MW392.89 g/mol
LogP4.00
Rot. Bonds3

About [5-amino-4-(N-methyl-C-phenylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]-(4-chloro-1H-indol-3-yl)methanone

[5-amino-4-(N-methyl-C-phenylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]-(4-chloro-1H-indol-3-yl)methanone (PubChem CID 146515549) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is [5-amino-4-(N-methyl-C-phenylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]-(4-chloro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[5-amino-4-(N-methyl-C-phenylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]-(4-chloro-1H-indol-3-yl)methanone
PubChem CID146515549
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name[5-amino-4-(N-methyl-C-phenylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]-(4-chloro-1H-indol-3-yl)methanone
SMILESC/N=C(/C1=C(N)CN(C(=O)c2c[nH]c3cccc(Cl)c23)CC1)c1ccccc1
InChIInChI=1S/C22H21ClN4O/c1-25-21(14-6-3-2-4-7-14)15-10-11-27(13-18(15)24)22(28)16-12-26-19-9-5-8-17(23)20(16)19/h2-9,12,26H,10-11,13,24H2,1H3/b25-21+
InChIKeyXNAXOFSCIUGSQZ-NJNXFGOHSA-N
XLogP4.00
TPSA74.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [5-amino-4-(N-methyl-C-phenylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]-(4-chloro-1H-indol-3-yl)methanone 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

(4-chloro-1H-indol-3-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 146457879
(4-chloro-1H-indol-3-yl)-phenylmethanone
CID 12030231
[5-amino-4-[C-(3-fluoro-5-methylphenyl)-N-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(2-hydroxy-6-methylphenyl)methanone
CID 156717440
1-(4-chloro-1H-indol-3-yl)-2-[4-(4-pyridin-2-yl-2-sulfanylbenzoyl)piperazin-1-yl]ethane-1,2-dione
CID 506371
1-(4-methyl-1H-indol-3-yl)-2-phenylethane-1,2-dione
CID 135028802
2-[(2R)-2-(4-chloro-1H-indole-3-carbonyl)pyrrolidin-1-yl]-1-phenylethanone
CID 166692220
[5-amino-4-[C-(3-chloro-5-methoxyphenyl)-N-methylcarbonimidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 146516292
(5-amino-4-anilino-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dichlorophenyl)methanone
CID 129153045
1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane
CID 145106752
tert-butyl 5-amino-4-(N-methyl-C-pyridin-2-ylcarbonimidoyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 134547301
(5-amino-2,4-dimethylphenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 102707056
1-(4-chloro-1H-indol-3-yl)-2-cyclobutylethanone
CID 103162533

Frequently Asked Questions

What is the IUPAC name of [5-amino-4-(N-methyl-C-phenylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]-(4-chloro-1H-indol-3-yl)methanone?
The IUPAC name of [5-amino-4-(N-methyl-C-phenylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]-(4-chloro-1H-indol-3-yl)methanone (CID 146515549) is [5-amino-4-(N-methyl-C-phenylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]-(4-chloro-1H-indol-3-yl)methanone.
What is the SMILES notation for [5-amino-4-(N-methyl-C-phenylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]-(4-chloro-1H-indol-3-yl)methanone?
The canonical SMILES for [5-amino-4-(N-methyl-C-phenylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]-(4-chloro-1H-indol-3-yl)methanone is C/N=C(/C1=C(N)CN(C(=O)c2c[nH]c3cccc(Cl)c23)CC1)c1ccccc1.
What is the InChIKey of [5-amino-4-(N-methyl-C-phenylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]-(4-chloro-1H-indol-3-yl)methanone?
The InChIKey is XNAXOFSCIUGSQZ-NJNXFGOHSA-N. The full InChI is InChI=1S/C22H21ClN4O/c1-25-21(14-6-3-2-4-7-14)15-10-11-27(13-18(15)24)22(28)16-12-26-19-9-5-8-17(23)20(16)19/h2-9,12,26H,10-11,13,24H2,1H3/b25-21+.
What are the key properties of [5-amino-4-(N-methyl-C-phenylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]-(4-chloro-1H-indol-3-yl)methanone?
[5-amino-4-(N-methyl-C-phenylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]-(4-chloro-1H-indol-3-yl)methanone has a molecular weight of 392.89 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-4-(N-methyl-C-phenylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]-(4-chloro-1H-indol-3-yl)methanone is sourced from PubChem (CID 146515549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).