N-[(E)-(3-nitrophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

C19H15N5O3 — CID 6862137

IUPACN-[(E)-(3-nitrophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESO=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C19H15N5O3/c25-19(23-20-11-12-4-3-6-14(10-12)24(26)27)18-16-9-8-13-5-1-2-7-15(13)17(16)21-22-18/h1-7,10-11H,8-9H2,(H,21,22)(H,23,25)/b20-11+
InChIKeySVEVDLWYZJZQNB-RGVLZGJSSA-N
MW361.36 g/mol
LogP2.85
Rot. Bonds4

About N-[(E)-(3-nitrophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

N-[(E)-(3-nitrophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (PubChem CID 6862137) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is N-[(E)-(3-nitrophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-nitrophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
PubChem CID6862137
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC NameN-[(E)-(3-nitrophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESO=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C19H15N5O3/c25-19(23-20-11-12-4-3-6-14(10-12)24(26)27)18-16-9-8-13-5-1-2-7-15(13)17(16)21-22-18/h1-7,10-11H,8-9H2,(H,21,22)(H,23,25)/b20-11+
InChIKeySVEVDLWYZJZQNB-RGVLZGJSSA-N
XLogP2.85
TPSA113.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 46343897
N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 696865
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 5450346
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 6862138
N-[[4-(dimethylamino)phenyl]methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 1185033
N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 6115229
N-[(E)-1-(4-nitrophenyl)ethylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 90486458
N-[(E)-anthracen-9-ylmethylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 6900050
N-[(2-fluorophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 761334
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 5402667
N-[[4-(diethylamino)phenyl]methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 4522877
N-[(Z)-(3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 5399697

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-nitrophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The IUPAC name of N-[(E)-(3-nitrophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (CID 6862137) is N-[(E)-(3-nitrophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(3-nitrophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The canonical SMILES for N-[(E)-(3-nitrophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1[nH]nc2c1CCc1ccccc1-2.
What is the InChIKey of N-[(E)-(3-nitrophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The InChIKey is SVEVDLWYZJZQNB-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H15N5O3/c25-19(23-20-11-12-4-3-6-14(10-12)24(26)27)18-16-9-8-13-5-1-2-7-15(13)17(16)21-22-18/h1-7,10-11H,8-9H2,(H,21,22)(H,23,25)/b20-11+.
What are the key properties of N-[(E)-(3-nitrophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
N-[(E)-(3-nitrophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide has a molecular weight of 361.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-nitrophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 6862137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).