N-[2-amino-3-(2-aminoethoxy)propyl]-3-cyclohexyl-5-fluoro-1H-indole-2-carboxamide

C20H29FN4O2 — CID 171762498

IUPACN-[2-amino-3-(2-aminoethoxy)propyl]-3-cyclohexyl-5-fluoro-1H-indole-2-carboxamide
SMILESNCCOCC(N)CNC(=O)c1[nH]c2ccc(F)cc2c1C1CCCCC1
InChIInChI=1S/C20H29FN4O2/c21-14-6-7-17-16(10-14)18(13-4-2-1-3-5-13)19(25-17)20(26)24-11-15(23)12-27-9-8-22/h6-7,10,13,15,25H,1-5,8-9,11-12,22-23H2,(H,24,26)
InChIKeyHCAIOJNZZNYZLH-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.39
Rot. Bonds8

About N-[2-amino-3-(2-aminoethoxy)propyl]-3-cyclohexyl-5-fluoro-1H-indole-2-carboxamide

N-[2-amino-3-(2-aminoethoxy)propyl]-3-cyclohexyl-5-fluoro-1H-indole-2-carboxamide (PubChem CID 171762498) has the molecular formula C20H29FN4O2 and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[2-amino-3-(2-aminoethoxy)propyl]-3-cyclohexyl-5-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-3-(2-aminoethoxy)propyl]-3-cyclohexyl-5-fluoro-1H-indole-2-carboxamide
PubChem CID171762498
Molecular FormulaC20H29FN4O2
Molecular Weight376.48 g/mol
Exact Mass376.23
IUPAC NameN-[2-amino-3-(2-aminoethoxy)propyl]-3-cyclohexyl-5-fluoro-1H-indole-2-carboxamide
SMILESNCCOCC(N)CNC(=O)c1[nH]c2ccc(F)cc2c1C1CCCCC1
InChIInChI=1S/C20H29FN4O2/c21-14-6-7-17-16(10-14)18(13-4-2-1-3-5-13)19(25-17)20(26)24-11-15(23)12-27-9-8-22/h6-7,10,13,15,25H,1-5,8-9,11-12,22-23H2,(H,24,26)
InChIKeyHCAIOJNZZNYZLH-UHFFFAOYSA-N
XLogP2.39
TPSA106.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-amino-4-(aminomethyl)-5-hydroxypentyl]-3-cyclohexyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 171762463
N-[2-amino-3-(2-aminoethoxy)propyl]-4-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide;hydrochloride
CID 171762585
N-[(2S)-2,5-diaminopentyl]-3,5-bis(4-fluorophenyl)-1H-indole-2-carboxamide
CID 137385157
tert-butyl N-[(2S)-5-amino-1-[[3-cyclopropyl-6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]pentan-2-yl]carbamate
CID 142485571
N-[(2R)-2-amino-3-propoxypropyl]-4-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide
CID 175625624
3-(2-cyclopropylethynyl)-N-(2,5-diaminopentyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride
CID 154944440
1-[[(3-chloro-5-fluoro-1H-indole-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120543884
N-[(2S)-2-amino-4-hydroxyhexyl]-3-(2-chlorophenyl)-5-fluoro-1H-indole-2-carboxamide
CID 175625557
tert-butyl N-[[(1R,2R,3R)-3-[[(5-fluoro-3-phenyl-1H-indole-2-carbonyl)amino]methyl]-2-hydroxycyclopentyl]methyl]carbamate
CID 175625984
N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-7-hydroxy-1H-indole-2-carboxamide
CID 137385816
tert-butyl N-[(2R)-1-[(3-cyclopentyl-1H-indole-2-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tri(propan-2-yl)silyloxybutan-2-yl]carbamate
CID 171762465
methyl 3,5-difluoro-1H-indole-2-carboxylate
CID 139034030

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-3-(2-aminoethoxy)propyl]-3-cyclohexyl-5-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-[2-amino-3-(2-aminoethoxy)propyl]-3-cyclohexyl-5-fluoro-1H-indole-2-carboxamide (CID 171762498) is N-[2-amino-3-(2-aminoethoxy)propyl]-3-cyclohexyl-5-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-amino-3-(2-aminoethoxy)propyl]-3-cyclohexyl-5-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-amino-3-(2-aminoethoxy)propyl]-3-cyclohexyl-5-fluoro-1H-indole-2-carboxamide is NCCOCC(N)CNC(=O)c1[nH]c2ccc(F)cc2c1C1CCCCC1.
What is the InChIKey of N-[2-amino-3-(2-aminoethoxy)propyl]-3-cyclohexyl-5-fluoro-1H-indole-2-carboxamide?
The InChIKey is HCAIOJNZZNYZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O2/c21-14-6-7-17-16(10-14)18(13-4-2-1-3-5-13)19(25-17)20(26)24-11-15(23)12-27-9-8-22/h6-7,10,13,15,25H,1-5,8-9,11-12,22-23H2,(H,24,26).
What are the key properties of N-[2-amino-3-(2-aminoethoxy)propyl]-3-cyclohexyl-5-fluoro-1H-indole-2-carboxamide?
N-[2-amino-3-(2-aminoethoxy)propyl]-3-cyclohexyl-5-fluoro-1H-indole-2-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.39, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-3-(2-aminoethoxy)propyl]-3-cyclohexyl-5-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 171762498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).