5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-indole-2-carboxamide

C17H23N3O — CID 79351560

IUPAC5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-indole-2-carboxamide
SMILESCC1(C)C(CNC(=O)c2cc3cc(N)ccc3[nH]2)C1(C)C
InChIInChI=1S/C17H23N3O/c1-16(2)14(17(16,3)4)9-19-15(21)13-8-10-7-11(18)5-6-12(10)20-13/h5-8,14,20H,9,18H2,1-4H3,(H,19,21)
InChIKeyDPFZSWGXNSRMPN-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.16
Rot. Bonds3

About 5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-indole-2-carboxamide

5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-indole-2-carboxamide (PubChem CID 79351560) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-indole-2-carboxamide
PubChem CID79351560
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-indole-2-carboxamide
SMILESCC1(C)C(CNC(=O)c2cc3cc(N)ccc3[nH]2)C1(C)C
InChIInChI=1S/C17H23N3O/c1-16(2)14(17(16,3)4)9-19-15(21)13-8-10-7-11(18)5-6-12(10)20-13/h5-8,14,20H,9,18H2,1-4H3,(H,19,21)
InChIKeyDPFZSWGXNSRMPN-UHFFFAOYSA-N
XLogP3.16
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-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

5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
5-amino-N-(thiolan-3-ylmethyl)-1H-indole-2-carboxamide
CID 107294763
5-amino-N-(2-methylbutyl)-1H-indole-2-carboxamide
CID 55179457
5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide
CID 113479607
5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 113465240
5-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indole-2-carboxamide
CID 106249434
5-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1H-indole-2-carboxamide
CID 146104826
5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide
CID 62056992
5-amino-N-(2,6-difluorophenyl)-1H-indole-2-carboxamide
CID 63117859
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588
5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide
CID 63118430
5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70215186

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-indole-2-carboxamide (CID 79351560) is 5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-indole-2-carboxamide is CC1(C)C(CNC(=O)c2cc3cc(N)ccc3[nH]2)C1(C)C.
What is the InChIKey of 5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is DPFZSWGXNSRMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-16(2)14(17(16,3)4)9-19-15(21)13-8-10-7-11(18)5-6-12(10)20-13/h5-8,14,20H,9,18H2,1-4H3,(H,19,21).
What are the key properties of 5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-indole-2-carboxamide?
5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 79351560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).