N-methyl-6-[(2-nitrophenyl)methylamino]pyridazine-3-carboxamide

C13H13N5O3 — CID 79211634

IUPACN-methyl-6-[(2-nitrophenyl)methylamino]pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCc2ccccc2[N+](=O)[O-])nn1
InChIInChI=1S/C13H13N5O3/c1-14-13(19)10-6-7-12(17-16-10)15-8-9-4-2-3-5-11(9)18(20)21/h2-7H,8H2,1H3,(H,14,19)(H,15,17)
InChIKeyGMTIBWBTMFAHNT-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.36
Rot. Bonds5

About N-methyl-6-[(2-nitrophenyl)methylamino]pyridazine-3-carboxamide

N-methyl-6-[(2-nitrophenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 79211634) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-methyl-6-[(2-nitrophenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[(2-nitrophenyl)methylamino]pyridazine-3-carboxamide
PubChem CID79211634
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC NameN-methyl-6-[(2-nitrophenyl)methylamino]pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCc2ccccc2[N+](=O)[O-])nn1
InChIInChI=1S/C13H13N5O3/c1-14-13(19)10-6-7-12(17-16-10)15-8-9-4-2-3-5-11(9)18(20)21/h2-7H,8H2,1H3,(H,14,19)(H,15,17)
InChIKeyGMTIBWBTMFAHNT-UHFFFAOYSA-N
XLogP1.36
TPSA110.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.36
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

N-methyl-6-[(4-nitrophenyl)methylamino]pyridazine-3-carboxamide
CID 79211637
N-methyl-6-[(2-phenoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 133329071
6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide
CID 115669027
N-methyl-6-[(4-phenoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 133343379
N-methyl-6-[(4-phenylsulfanylphenyl)methylamino]pyridazine-3-carboxamide
CID 133397231
5-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 103802148
6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid
CID 54944511
6-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyridazin-3-amine
CID 103112008
N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 65110200
N,2,2-trimethyl-3-[(2-nitrophenyl)methylamino]propanamide
CID 103824411
2-methyl-N-[(2-nitrophenyl)methyl]pyrimidin-4-amine
CID 55112765
N-tert-butyl-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109119978

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(2-nitrophenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-[(2-nitrophenyl)methylamino]pyridazine-3-carboxamide (CID 79211634) is N-methyl-6-[(2-nitrophenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[(2-nitrophenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-[(2-nitrophenyl)methylamino]pyridazine-3-carboxamide is CNC(=O)c1ccc(NCc2ccccc2[N+](=O)[O-])nn1.
What is the InChIKey of N-methyl-6-[(2-nitrophenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is GMTIBWBTMFAHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c1-14-13(19)10-6-7-12(17-16-10)15-8-9-4-2-3-5-11(9)18(20)21/h2-7H,8H2,1H3,(H,14,19)(H,15,17).
What are the key properties of N-methyl-6-[(2-nitrophenyl)methylamino]pyridazine-3-carboxamide?
N-methyl-6-[(2-nitrophenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(2-nitrophenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 79211634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).