6-chloro-N-[1-[3-methanimidoyl-4-(methylamino)phenyl]ethyl]-1-methylindole-2-carboxamide

C20H21ClN4O — CID 177139948

IUPAC6-chloro-N-[1-[3-methanimidoyl-4-(methylamino)phenyl]ethyl]-1-methylindole-2-carboxamide
SMILES[H]/N=C/c1cc(C(C)NC(=O)c2cc3ccc(Cl)cc3n2C)ccc1NC
InChIInChI=1S/C20H21ClN4O/c1-12(13-5-7-17(23-2)15(8-13)11-22)24-20(26)19-9-14-4-6-16(21)10-18(14)25(19)3/h4-12,22-23H,1-3H3,(H,24,26)/b22-11+
InChIKeyQWVDKSZTJMAIQF-SSDVNMTOSA-N
MW368.87 g/mol
LogP4.36
Rot. Bonds5

About 6-chloro-N-[1-[3-methanimidoyl-4-(methylamino)phenyl]ethyl]-1-methylindole-2-carboxamide

6-chloro-N-[1-[3-methanimidoyl-4-(methylamino)phenyl]ethyl]-1-methylindole-2-carboxamide (PubChem CID 177139948) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 6-chloro-N-[1-[3-methanimidoyl-4-(methylamino)phenyl]ethyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-[3-methanimidoyl-4-(methylamino)phenyl]ethyl]-1-methylindole-2-carboxamide
PubChem CID177139948
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name6-chloro-N-[1-[3-methanimidoyl-4-(methylamino)phenyl]ethyl]-1-methylindole-2-carboxamide
SMILES[H]/N=C/c1cc(C(C)NC(=O)c2cc3ccc(Cl)cc3n2C)ccc1NC
InChIInChI=1S/C20H21ClN4O/c1-12(13-5-7-17(23-2)15(8-13)11-22)24-20(26)19-9-14-4-6-16(21)10-18(14)25(19)3/h4-12,22-23H,1-3H3,(H,24,26)/b22-11+
InChIKeyQWVDKSZTJMAIQF-SSDVNMTOSA-N
XLogP4.36
TPSA69.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-N-[1-[3-methanimidoyl-4-(methylamino)phenyl]ethyl]-1-methylindole-2-carboxamide 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

6-chloro-N-[(1S)-1-[4-(cyanomethyl)phenyl]ethyl]-1-methylindole-2-carboxamide
CID 177140014
6-chloro-1-methyl-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]indole-2-carboxamide
CID 177140331
6-chloro-N-[1-(3-cyano-4-sulfinamoylphenyl)ethyl]-1-methylindole-2-carboxamide
CID 177139968
6-chloro-N-[1-(2-cyclopropylpyrimidin-5-yl)ethyl]-1-methylindole-2-carboxamide
CID 177140177
N-[1-(6-aminosulfanyl-5-chloro-3-pyridinyl)ethyl]-6-chloro-1-methylindole-2-carboxamide;ethane
CID 177140289
N-(1-aminopropan-2-yl)-6-chloro-1-methylindole-2-carboxamide
CID 110833586
6-chloro-N-[1-(2-chloro-4-methylsulfonylphenyl)ethyl]-1-methylindole-2-carboxamide
CID 177140120
1,6-dimethyl-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]indole-2-carboxamide
CID 177140188
6-chloro-N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide
CID 177140163
N-[(S)-(4-carbamoylphenyl)-cyclopropylmethyl]-6-chloro-1-methylindole-2-carboxamide
CID 177140237
2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid
CID 110835856
4-[(1R)-1-[(6-bromo-5-chloro-1-methylindole-2-carbonyl)amino]ethyl]benzoic acid
CID 155558291

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[3-methanimidoyl-4-(methylamino)phenyl]ethyl]-1-methylindole-2-carboxamide?
The IUPAC name of 6-chloro-N-[1-[3-methanimidoyl-4-(methylamino)phenyl]ethyl]-1-methylindole-2-carboxamide (CID 177139948) is 6-chloro-N-[1-[3-methanimidoyl-4-(methylamino)phenyl]ethyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-[3-methanimidoyl-4-(methylamino)phenyl]ethyl]-1-methylindole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[1-[3-methanimidoyl-4-(methylamino)phenyl]ethyl]-1-methylindole-2-carboxamide is [H]/N=C/c1cc(C(C)NC(=O)c2cc3ccc(Cl)cc3n2C)ccc1NC.
What is the InChIKey of 6-chloro-N-[1-[3-methanimidoyl-4-(methylamino)phenyl]ethyl]-1-methylindole-2-carboxamide?
The InChIKey is QWVDKSZTJMAIQF-SSDVNMTOSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-12(13-5-7-17(23-2)15(8-13)11-22)24-20(26)19-9-14-4-6-16(21)10-18(14)25(19)3/h4-12,22-23H,1-3H3,(H,24,26)/b22-11+.
What are the key properties of 6-chloro-N-[1-[3-methanimidoyl-4-(methylamino)phenyl]ethyl]-1-methylindole-2-carboxamide?
6-chloro-N-[1-[3-methanimidoyl-4-(methylamino)phenyl]ethyl]-1-methylindole-2-carboxamide has a molecular weight of 368.87 g/mol, XLogP of 4.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[3-methanimidoyl-4-(methylamino)phenyl]ethyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 177139948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).