N-[[1-(dimethylamino)cyclopentyl]methyl]-7-nitro-1H-indole-2-carboxamide

C17H22N4O3 — CID 51123998

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-7-nitro-1H-indole-2-carboxamide
SMILESCN(C)C1(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCCC1
InChIInChI=1S/C17H22N4O3/c1-20(2)17(8-3-4-9-17)11-18-16(22)13-10-12-6-5-7-14(21(23)24)15(12)19-13/h5-7,10,19H,3-4,8-9,11H2,1-2H3,(H,18,22)
InChIKeyUUFVCZYIUAWMIQ-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.68
Rot. Bonds5

About N-[[1-(dimethylamino)cyclopentyl]methyl]-7-nitro-1H-indole-2-carboxamide

N-[[1-(dimethylamino)cyclopentyl]methyl]-7-nitro-1H-indole-2-carboxamide (PubChem CID 51123998) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-7-nitro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-7-nitro-1H-indole-2-carboxamide
PubChem CID51123998
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-7-nitro-1H-indole-2-carboxamide
SMILESCN(C)C1(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCCC1
InChIInChI=1S/C17H22N4O3/c1-20(2)17(8-3-4-9-17)11-18-16(22)13-10-12-6-5-7-14(21(23)24)15(12)19-13/h5-7,10,19H,3-4,8-9,11H2,1-2H3,(H,18,22)
InChIKeyUUFVCZYIUAWMIQ-UHFFFAOYSA-N
XLogP2.68
TPSA91.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[(7-nitro-1H-indole-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542786
1-[(7-nitro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176423
N-butyl-7-nitro-1H-indole-2-carboxamide
CID 2823660
N-methoxy-N-methyl-7-nitro-1H-indole-2-carboxamide
CID 47266467
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-7-nitro-1H-indole-2-carboxamide
CID 170459487
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-methyl-4-nitrobenzamide
CID 16960831
5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-nitrobenzamide
CID 105420369
N-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-nitro-1H-indole-2-carboxamide
CID 100904472
(Z)-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-(2-nitrophenyl)prop-2-enamide
CID 94140780
7-nitro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide
CID 44556283
4-(cyclopropylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-3-nitrobenzamide
CID 33262710
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-7-nitro-1H-indole-2-carboxamide
CID 71938416

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-7-nitro-1H-indole-2-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-7-nitro-1H-indole-2-carboxamide (CID 51123998) is N-[[1-(dimethylamino)cyclopentyl]methyl]-7-nitro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-7-nitro-1H-indole-2-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-7-nitro-1H-indole-2-carboxamide is CN(C)C1(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-7-nitro-1H-indole-2-carboxamide?
The InChIKey is UUFVCZYIUAWMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-20(2)17(8-3-4-9-17)11-18-16(22)13-10-12-6-5-7-14(21(23)24)15(12)19-13/h5-7,10,19H,3-4,8-9,11H2,1-2H3,(H,18,22).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-7-nitro-1H-indole-2-carboxamide?
N-[[1-(dimethylamino)cyclopentyl]methyl]-7-nitro-1H-indole-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-7-nitro-1H-indole-2-carboxamide is sourced from PubChem (CID 51123998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).