N-[2-[(3-aminocyclohexyl)amino]ethyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide

C23H27FN4O — CID 135324289

IUPACN-[2-[(3-aminocyclohexyl)amino]ethyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide
SMILESNC1CCCC(NCCNC(=O)c2cc3ccc(-c4ccc(F)cc4)cc3[nH]2)C1
InChIInChI=1S/C23H27FN4O/c24-18-8-6-15(7-9-18)16-4-5-17-13-22(28-21(17)12-16)23(29)27-11-10-26-20-3-1-2-19(25)14-20/h4-9,12-13,19-20,26,28H,1-3,10-11,14,25H2,(H,27,29)
InChIKeySRWVLKIZKPYJOT-UHFFFAOYSA-N
MW394.49 g/mol
LogP3.56
Rot. Bonds6

About N-[2-[(3-aminocyclohexyl)amino]ethyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide

N-[2-[(3-aminocyclohexyl)amino]ethyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide (PubChem CID 135324289) has the molecular formula C23H27FN4O and a molecular weight of 394.49 g/mol. Its IUPAC name is N-[2-[(3-aminocyclohexyl)amino]ethyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-aminocyclohexyl)amino]ethyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide
PubChem CID135324289
Molecular FormulaC23H27FN4O
Molecular Weight394.49 g/mol
Exact Mass394.22
IUPAC NameN-[2-[(3-aminocyclohexyl)amino]ethyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide
SMILESNC1CCCC(NCCNC(=O)c2cc3ccc(-c4ccc(F)cc4)cc3[nH]2)C1
InChIInChI=1S/C23H27FN4O/c24-18-8-6-15(7-9-18)16-4-5-17-13-22(28-21(17)12-16)23(29)27-11-10-26-20-3-1-2-19(25)14-20/h4-9,12-13,19-20,26,28H,1-3,10-11,14,25H2,(H,27,29)
InChIKeySRWVLKIZKPYJOT-UHFFFAOYSA-N
XLogP3.56
TPSA82.94 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(4-fluorophenyl)-N-[2-(piperidin-4-ylamino)ethyl]-1H-indole-2-carboxamide
CID 135324738
6-(4-fluorophenyl)-N-[2-(pyrrolidin-3-ylamino)ethyl]-1H-indole-2-carboxamide;hydron;chloride
CID 135324452
4-[(4-aminocyclohexyl)amino]-1-[6-(4-fluorophenyl)-1H-indol-2-yl]butan-1-one
CID 159141899
N-[(4-amino-2-pyridinyl)methyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 151951735
[(2S)-5-azaniumyl-5-cyclopropyl-1-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]pentan-2-yl]azanium dichloride
CID 135324301
N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride
CID 135324109
N-(2,5-diaminohexyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 135324352
[(3S)-3-chloro-4-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]butyl]azanium
CID 156664162
N-[2-(cycloheptylamino)ethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 119619169
N-[2-[(3-aminocyclohexyl)amino]ethyl]acetamide
CID 79459016
[(3S,5S)-1-benzyl-5-[[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]methyl]pyrrolidin-3-yl] carbamate
CID 174992929
N-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide
CID 78987135

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-aminocyclohexyl)amino]ethyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[(3-aminocyclohexyl)amino]ethyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide (CID 135324289) is N-[2-[(3-aminocyclohexyl)amino]ethyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[(3-aminocyclohexyl)amino]ethyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[(3-aminocyclohexyl)amino]ethyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide is NC1CCCC(NCCNC(=O)c2cc3ccc(-c4ccc(F)cc4)cc3[nH]2)C1.
What is the InChIKey of N-[2-[(3-aminocyclohexyl)amino]ethyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide?
The InChIKey is SRWVLKIZKPYJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O/c24-18-8-6-15(7-9-18)16-4-5-17-13-22(28-21(17)12-16)23(29)27-11-10-26-20-3-1-2-19(25)14-20/h4-9,12-13,19-20,26,28H,1-3,10-11,14,25H2,(H,27,29).
What are the key properties of N-[2-[(3-aminocyclohexyl)amino]ethyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide?
N-[2-[(3-aminocyclohexyl)amino]ethyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide has a molecular weight of 394.49 g/mol, XLogP of 3.56, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-aminocyclohexyl)amino]ethyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 135324289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).