N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]-1H-indazole-6-carboxamide

C19H20N6O3 — CID 127047374

IUPACN-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]-1H-indazole-6-carboxamide
SMILESCN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C19H20N6O3/c1-23-6-8-24(9-7-23)18-5-4-15(25(27)28)11-17(18)21-19(26)13-2-3-14-12-20-22-16(14)10-13/h2-5,10-12H,6-9H2,1H3,(H,20,22)(H,21,26)
InChIKeyNTDQAEZSSGIFJT-UHFFFAOYSA-N
MW380.41 g/mol
LogP2.48
Rot. Bonds4

About N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]-1H-indazole-6-carboxamide

N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]-1H-indazole-6-carboxamide (PubChem CID 127047374) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]-1H-indazole-6-carboxamide
PubChem CID127047374
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]-1H-indazole-6-carboxamide
SMILESCN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C19H20N6O3/c1-23-6-8-24(9-7-23)18-5-4-15(25(27)28)11-17(18)21-19(26)13-2-3-14-12-20-22-16(14)10-13/h2-5,10-12H,6-9H2,1H3,(H,20,22)(H,21,26)
InChIKeyNTDQAEZSSGIFJT-UHFFFAOYSA-N
XLogP2.48
TPSA107.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-nitrophenyl)-1H-indazole-6-carboxamide
CID 62905610
4-fluoro-3,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
CID 127046421
methyl 4-(4-methylpiperazin-1-yl)-3-[(4-nitrobenzoyl)amino]benzoate
CID 17274872
2-chloro-N-[2-(4-methyl-1,4-diazepan-1-yl)-5-nitrophenyl]benzamide
CID 71719508
N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide
CID 2966063
N-(1-methylpiperidin-4-yl)-1H-indazole-6-carboxamide
CID 62905083
methyl 4-(4-ethylpiperazin-1-yl)-3-[(4-nitrobenzoyl)amino]benzoate
CID 7328854
methyl 3-[(3-nitrobenzoyl)amino]-4-pyrrolidin-1-ylbenzoate
CID 55516795
N-(2,5-dimethylpyrazol-3-yl)-1H-indazole-6-carboxamide
CID 62907185
N-(2-acetylphenyl)-1H-indazole-6-carboxamide
CID 110485418
ethane;N-methyl-2-(4-methylpiperazin-1-yl)-5-nitrobenzamide
CID 145134608
N-[2-(cyclopropylcarbamoyl)phenyl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide
CID 26905770

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]-1H-indazole-6-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]-1H-indazole-6-carboxamide (CID 127047374) is N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]-1H-indazole-6-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]-1H-indazole-6-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]-1H-indazole-6-carboxamide is CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccc3cn[nH]c3c2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]-1H-indazole-6-carboxamide?
The InChIKey is NTDQAEZSSGIFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-23-6-8-24(9-7-23)18-5-4-15(25(27)28)11-17(18)21-19(26)13-2-3-14-12-20-22-16(14)10-13/h2-5,10-12H,6-9H2,1H3,(H,20,22)(H,21,26).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]-1H-indazole-6-carboxamide?
N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]-1H-indazole-6-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]-1H-indazole-6-carboxamide is sourced from PubChem (CID 127047374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).