6-amino-N-(4-methylpiperazin-1-yl)-1H-indole-3-carboxamide

C14H19N5O — CID 83012417

IUPAC6-amino-N-(4-methylpiperazin-1-yl)-1H-indole-3-carboxamide
SMILESCN1CCN(NC(=O)c2c[nH]c3cc(N)ccc23)CC1
InChIInChI=1S/C14H19N5O/c1-18-4-6-19(7-5-18)17-14(20)12-9-16-13-8-10(15)2-3-11(12)13/h2-3,8-9,16H,4-7,15H2,1H3,(H,17,20)
InChIKeyYHIHWUWGEPXYJE-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.64
Rot. Bonds2

About 6-amino-N-(4-methylpiperazin-1-yl)-1H-indole-3-carboxamide

6-amino-N-(4-methylpiperazin-1-yl)-1H-indole-3-carboxamide (PubChem CID 83012417) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-amino-N-(4-methylpiperazin-1-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(4-methylpiperazin-1-yl)-1H-indole-3-carboxamide
PubChem CID83012417
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name6-amino-N-(4-methylpiperazin-1-yl)-1H-indole-3-carboxamide
SMILESCN1CCN(NC(=O)c2c[nH]c3cc(N)ccc23)CC1
InChIInChI=1S/C14H19N5O/c1-18-4-6-19(7-5-18)17-14(20)12-9-16-13-8-10(15)2-3-11(12)13/h2-3,8-9,16H,4-7,15H2,1H3,(H,17,20)
InChIKeyYHIHWUWGEPXYJE-UHFFFAOYSA-N
XLogP0.64
TPSA77.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-morpholin-4-yl-1H-indole-3-carboxamide
CID 83012813
5-amino-N-(1-methylpiperidin-4-yl)-1H-indole-3-carboxamide
CID 63116925
6-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-3-carboxamide
CID 61117894
4-amino-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 83024475
6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride
CID 71938706
6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide
CID 115597694
(6-amino-1H-indol-3-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106667079
6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide
CID 115405243
6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide
CID 61095149
6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide
CID 107211217
6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide
CID 61469066
6-amino-N-(4-methylsulfanylphenyl)-1H-indole-3-carboxamide
CID 61092128

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-methylpiperazin-1-yl)-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-(4-methylpiperazin-1-yl)-1H-indole-3-carboxamide (CID 83012417) is 6-amino-N-(4-methylpiperazin-1-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-(4-methylpiperazin-1-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-(4-methylpiperazin-1-yl)-1H-indole-3-carboxamide is CN1CCN(NC(=O)c2c[nH]c3cc(N)ccc23)CC1.
What is the InChIKey of 6-amino-N-(4-methylpiperazin-1-yl)-1H-indole-3-carboxamide?
The InChIKey is YHIHWUWGEPXYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-18-4-6-19(7-5-18)17-14(20)12-9-16-13-8-10(15)2-3-11(12)13/h2-3,8-9,16H,4-7,15H2,1H3,(H,17,20).
What are the key properties of 6-amino-N-(4-methylpiperazin-1-yl)-1H-indole-3-carboxamide?
6-amino-N-(4-methylpiperazin-1-yl)-1H-indole-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-methylpiperazin-1-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 83012417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).