N-(5-amino-2-iminopentyl)-6-(3,4-difluorophenyl)-1H-indole-2-carboxamide

C20H20F2N4O — CID 163740864

IUPACN-(5-amino-2-iminopentyl)-6-(3,4-difluorophenyl)-1H-indole-2-carboxamide
SMILES[H]/N=C(\CCCN)CNC(=O)c1cc2ccc(-c3ccc(F)c(F)c3)cc2[nH]1
InChIInChI=1S/C20H20F2N4O/c21-16-6-5-12(8-17(16)22)13-3-4-14-10-19(26-18(14)9-13)20(27)25-11-15(24)2-1-7-23/h3-6,8-10,24,26H,1-2,7,11,23H2,(H,25,27)/b24-15+
InChIKeyLHOYQAFZVNSYIN-BUVRLJJBSA-N
MW370.40 g/mol
LogP3.60
Rot. Bonds7

About N-(5-amino-2-iminopentyl)-6-(3,4-difluorophenyl)-1H-indole-2-carboxamide

N-(5-amino-2-iminopentyl)-6-(3,4-difluorophenyl)-1H-indole-2-carboxamide (PubChem CID 163740864) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is N-(5-amino-2-iminopentyl)-6-(3,4-difluorophenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-iminopentyl)-6-(3,4-difluorophenyl)-1H-indole-2-carboxamide
PubChem CID163740864
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC NameN-(5-amino-2-iminopentyl)-6-(3,4-difluorophenyl)-1H-indole-2-carboxamide
SMILES[H]/N=C(\CCCN)CNC(=O)c1cc2ccc(-c3ccc(F)c(F)c3)cc2[nH]1
InChIInChI=1S/C20H20F2N4O/c21-16-6-5-12(8-17(16)22)13-3-4-14-10-19(26-18(14)9-13)20(27)25-11-15(24)2-1-7-23/h3-6,8-10,24,26H,1-2,7,11,23H2,(H,25,27)/b24-15+
InChIKeyLHOYQAFZVNSYIN-BUVRLJJBSA-N
XLogP3.60
TPSA94.76 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-iminopentyl)-6-(3,4-difluorophenyl)-1H-indole-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

N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride
CID 135324109
6-(3-chloro-4-fluorophenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide
CID 135324438
6-(4-chlorophenyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide
CID 135324569
N-[(2S)-2,5-diaminopentyl]-6-(4-fluoro-3-methoxyphenyl)-1H-indole-2-carboxamide
CID 135324188
6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide
CID 135324687
N-(2,5-diaminohexyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 135324352
N-[(4-amino-2-pyridinyl)methyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 151951735
6-chloro-N-ethyl-1H-indole-2-carboxamide
CID 47172452
[(3S)-3-chloro-4-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]butyl]azanium
CID 156664162
3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic acid
CID 75417841
6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid
CID 168510074
6-(4-fluorophenyl)-N-[2-(piperidin-4-ylamino)ethyl]-1H-indole-2-carboxamide
CID 135324738

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-iminopentyl)-6-(3,4-difluorophenyl)-1H-indole-2-carboxamide?
The IUPAC name of N-(5-amino-2-iminopentyl)-6-(3,4-difluorophenyl)-1H-indole-2-carboxamide (CID 163740864) is N-(5-amino-2-iminopentyl)-6-(3,4-difluorophenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(5-amino-2-iminopentyl)-6-(3,4-difluorophenyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(5-amino-2-iminopentyl)-6-(3,4-difluorophenyl)-1H-indole-2-carboxamide is [H]/N=C(\CCCN)CNC(=O)c1cc2ccc(-c3ccc(F)c(F)c3)cc2[nH]1.
What is the InChIKey of N-(5-amino-2-iminopentyl)-6-(3,4-difluorophenyl)-1H-indole-2-carboxamide?
The InChIKey is LHOYQAFZVNSYIN-BUVRLJJBSA-N. The full InChI is InChI=1S/C20H20F2N4O/c21-16-6-5-12(8-17(16)22)13-3-4-14-10-19(26-18(14)9-13)20(27)25-11-15(24)2-1-7-23/h3-6,8-10,24,26H,1-2,7,11,23H2,(H,25,27)/b24-15+.
What are the key properties of N-(5-amino-2-iminopentyl)-6-(3,4-difluorophenyl)-1H-indole-2-carboxamide?
N-(5-amino-2-iminopentyl)-6-(3,4-difluorophenyl)-1H-indole-2-carboxamide has a molecular weight of 370.40 g/mol, XLogP of 3.60, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-iminopentyl)-6-(3,4-difluorophenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 163740864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).