N-(4-methylpiperazin-1-yl)-5-nitro-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide

C20H23N5O3 — CID 174527190

IUPACN-(4-methylpiperazin-1-yl)-5-nitro-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCN1CCN(NC(=O)C2Nc3ccc([N+](=O)[O-])cc3C2c2ccccc2)CC1
InChIInChI=1S/C20H23N5O3/c1-23-9-11-24(12-10-23)22-20(26)19-18(14-5-3-2-4-6-14)16-13-15(25(27)28)7-8-17(16)21-19/h2-8,13,18-19,21H,9-12H2,1H3,(H,22,26)
InChIKeyFYSRGDHSGUZTQL-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.80
Rot. Bonds4

About N-(4-methylpiperazin-1-yl)-5-nitro-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide

N-(4-methylpiperazin-1-yl)-5-nitro-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 174527190) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-5-nitro-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-5-nitro-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID174527190
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-(4-methylpiperazin-1-yl)-5-nitro-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCN1CCN(NC(=O)C2Nc3ccc([N+](=O)[O-])cc3C2c2ccccc2)CC1
InChIInChI=1S/C20H23N5O3/c1-23-9-11-24(12-10-23)22-20(26)19-18(14-5-3-2-4-6-14)16-13-15(25(27)28)7-8-17(16)21-19/h2-8,13,18-19,21H,9-12H2,1H3,(H,22,26)
InChIKeyFYSRGDHSGUZTQL-UHFFFAOYSA-N
XLogP1.80
TPSA90.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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CID 102254993
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4-[(6R,6aS,11bR)-2-nitro-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]benzoic acid
CID 7381746
1-[(5aR,10bS)-9-nitro-5-phenyl-4,5,5a,6,10b,11-hexahydro-1H-oxazino[4,5-b]carbazol-3-yl]ethanone
CID 100936226
N-ethyl-7-nitro-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
CID 21414268
methyl 4-[(6S,6aS,11bS)-2-nitro-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]benzoate
CID 7479287
3-[(4-methylpiperazin-1-yl)carbamoyl]-5-nitrobenzoic acid
CID 166394149
N-[(2-chloro-4-nitrophenyl)methyl]-4-methylpiperazin-1-amine
CID 83021576
(3R,4aS,9S,9aR)-7-nitro-9-phenyl-3-propyl-3,4,4a,9,9a,10-hexahydro-1H-acridine-2,2-dicarbonitrile
CID 102590728
(3aR,4S,9bS)-8-nitro-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 10957291
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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-5-nitro-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-(4-methylpiperazin-1-yl)-5-nitro-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide (CID 174527190) is N-(4-methylpiperazin-1-yl)-5-nitro-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-5-nitro-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-5-nitro-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide is CN1CCN(NC(=O)C2Nc3ccc([N+](=O)[O-])cc3C2c2ccccc2)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-5-nitro-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is FYSRGDHSGUZTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-23-9-11-24(12-10-23)22-20(26)19-18(14-5-3-2-4-6-14)16-13-15(25(27)28)7-8-17(16)21-19/h2-8,13,18-19,21H,9-12H2,1H3,(H,22,26).
What are the key properties of N-(4-methylpiperazin-1-yl)-5-nitro-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide?
N-(4-methylpiperazin-1-yl)-5-nitro-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-5-nitro-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 174527190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).