3-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclopentane-1-carboxamide;hydrochloride

C17H23ClN4O2 — CID 119764171

IUPAC3-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclopentane-1-carboxamide;hydrochloride
SMILESCNC(=O)Cn1ccc2ccc(NC(=O)C3CCC(N)C3)cc21.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-19-16(22)10-21-7-6-11-3-5-14(9-15(11)21)20-17(23)12-2-4-13(18)8-12;/h3,5-7,9,12-13H,2,4,8,10,18H2,1H3,(H,19,22)(H,20,23);1H
InChIKeyUUAMDEBCSGTUOH-UHFFFAOYSA-N
MW350.85 g/mol
LogP1.88
Rot. Bonds4

About 3-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119764171) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 3-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119764171
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name3-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclopentane-1-carboxamide;hydrochloride
SMILESCNC(=O)Cn1ccc2ccc(NC(=O)C3CCC(N)C3)cc21.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-19-16(22)10-21-7-6-11-3-5-14(9-15(11)21)20-17(23)12-2-4-13(18)8-12;/h3,5-7,9,12-13H,2,4,8,10,18H2,1H3,(H,19,22)(H,20,23);1H
InChIKeyUUAMDEBCSGTUOH-UHFFFAOYSA-N
XLogP1.88
TPSA89.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclopropanecarboxamide
CID 155948618
(1R,2S,4S)-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98208111
1-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119312294
2-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide
CID 119764196
(2S)-2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]pentanamide
CID 119764210
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030664
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
2-(2-methoxyethylamino)-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]acetamide
CID 119764204
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 60847300
3-amino-N-(1-propylindol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119797067
(2S,4S)-N-[1-(2-methoxyethyl)indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120641099

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclopentane-1-carboxamide;hydrochloride (CID 119764171) is 3-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclopentane-1-carboxamide;hydrochloride is CNC(=O)Cn1ccc2ccc(NC(=O)C3CCC(N)C3)cc21.Cl.
What is the InChIKey of 3-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is UUAMDEBCSGTUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.ClH/c1-19-16(22)10-21-7-6-11-3-5-14(9-15(11)21)20-17(23)12-2-4-13(18)8-12;/h3,5-7,9,12-13H,2,4,8,10,18H2,1H3,(H,19,22)(H,20,23);1H.
What are the key properties of 3-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119764171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).