N-[2-(cyclopropylamino)-4-isocyanophenyl]-6-methoxypyridazine-4-carboxamide;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;1-cyclopropyl-6-isocyano-2-(6-methoxypyridazin-4-yl)benzimidazole;dichloromethane;6-methoxypyridazine-4-carboxylic acid

C49H47Cl2N15O6 — CID 159883442

IUPACN-[2-(cyclopropylamino)-4-isocyanophenyl]-6-methoxypyridazine-4-carboxamide;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;1-cyclopropyl-6-isocyano-2-(6-methoxypyridazin-4-yl)benzimidazole;dichloromethane;6-methoxypyridazine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)cnn1.ClCCl.[C-]#[N+]c1ccc(N)c(NC2CC2)c1.[C-]#[N+]c1ccc(NC(=O)c2cnnc(OC)c2)c(NC2CC2)c1.[C-]#[N+]c1ccc2nc(-c3cnnc(OC)c3)n(C3CC3)c2c1
InChIInChI=1S/C16H15N5O2.C16H13N5O.C10H11N3.C6H6N2O3.CH2Cl2/c1-17-12-5-6-13(14(8-12)19-11-3-4-11)20-16(22)10-7-15(23-2)21-18-9-10;1-17-11-3-6-13-14(8-11)21(12-4-5-12)16(19-13)10-7-15(22-2)20-18-9-10;1-12-8-4-5-9(11)10(6-8)13-7-2-3-7;1-11-5-2-4(6(9)10)3-7-8-5;2-1-3/h5-9,11,19H,3-4H2,2H3,(H,20,22);3,6-9,12H,4-5H2,2H3;4-7,13H,2-3,11H2;2-3H,1H3,(H,9,10);1H2
InChIKeyNTVCPJPHSQSJTN-UHFFFAOYSA-N
MW1012.92 g/mol
LogP10.25
Rot. Bonds12

About N-[2-(cyclopropylamino)-4-isocyanophenyl]-6-methoxypyridazine-4-carboxamide;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;1-cyclopropyl-6-isocyano-2-(6-methoxypyridazin-4-yl)benzimidazole;dichloromethane;6-methoxypyridazine-4-carboxylic acid

N-[2-(cyclopropylamino)-4-isocyanophenyl]-6-methoxypyridazine-4-carboxamide;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;1-cyclopropyl-6-isocyano-2-(6-methoxypyridazin-4-yl)benzimidazole;dichloromethane;6-methoxypyridazine-4-carboxylic acid (PubChem CID 159883442) has the molecular formula C49H47Cl2N15O6 and a molecular weight of 1012.92 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-4-isocyanophenyl]-6-methoxypyridazine-4-carboxamide;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;1-cyclopropyl-6-isocyano-2-(6-methoxypyridazin-4-yl)benzimidazole;dichloromethane;6-methoxypyridazine-4-carboxylic acid.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-4-isocyanophenyl]-6-methoxypyridazine-4-carboxamide;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;1-cyclopropyl-6-isocyano-2-(6-methoxypyridazin-4-yl)benzimidazole;dichloromethane;6-methoxypyridazine-4-carboxylic acid
PubChem CID159883442
Molecular FormulaC49H47Cl2N15O6
Molecular Weight1012.92 g/mol
Exact Mass1011.32
IUPAC NameN-[2-(cyclopropylamino)-4-isocyanophenyl]-6-methoxypyridazine-4-carboxamide;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;1-cyclopropyl-6-isocyano-2-(6-methoxypyridazin-4-yl)benzimidazole;dichloromethane;6-methoxypyridazine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)cnn1.ClCCl.[C-]#[N+]c1ccc(N)c(NC2CC2)c1.[C-]#[N+]c1ccc(NC(=O)c2cnnc(OC)c2)c(NC2CC2)c1.[C-]#[N+]c1ccc2nc(-c3cnnc(OC)c3)n(C3CC3)c2c1
InChIInChI=1S/C16H15N5O2.C16H13N5O.C10H11N3.C6H6N2O3.CH2Cl2/c1-17-12-5-6-13(14(8-12)19-11-3-4-11)20-16(22)10-7-15(23-2)21-18-9-10;1-17-11-3-6-13-14(8-11)21(12-4-5-12)16(19-13)10-7-15(22-2)20-18-9-10;1-12-8-4-5-9(11)10(6-8)13-7-2-3-7;1-11-5-2-4(6(9)10)3-7-8-5;2-1-3/h5-9,11,19H,3-4H2,2H3,(H,20,22);3,6-9,12H,4-5H2,2H3;4-7,13H,2-3,11H2;2-3H,1H3,(H,9,10);1H2
InChIKeyNTVCPJPHSQSJTN-UHFFFAOYSA-N
XLogP10.25
TPSA252.41 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001012.92
LogP ≤ 510.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-[2-(cyclopropylamino)-4-isocyanophenyl]-6-methoxypyridazine-4-carboxamide;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;1-cyclopropyl-6-isocyano-2-(6-methoxypyridazin-4-yl)benzimidazole;dichloromethane;6-methoxypyridazine-4-carboxylic acid with MolForge

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Related Compounds

N-[2-(cyclopropylamino)-4-isocyanophenyl]-6-methoxypyridazine-4-carboxamide;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;1-cyclopropyl-6-isocyano-2-(6-methoxypyridazin-4-yl)benzimidazole;dichloromethane;6-methoxypyridazine-4-carboxylic acid;2,2,2-trifluoroacetaldehyde
CID 158988889
N-[2-(cyclopropylamino)-4-isocyanophenyl]-6-methoxypyridazine-4-carboxamide;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;3-cyclopropyl-2-(6-methoxypyridazin-4-yl)benzimidazole-5-carbonitrile;dichloromethane;6-methoxypyridazine-4-carboxylic acid
CID 157959095
sodium;6-chloro-N-[2-(cyclopropylamino)-4-isocyanophenyl]pyridazine-4-carboxamide;2-chloro-2,2-difluoroacetate;6-chloropyridazine-4-carboxylic acid;1-cyclopropyl-2-[6-(difluoromethoxy)pyridazin-4-yl]-6-isocyanobenzimidazole;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;4-(1-cyclopropyl-6-isocyanobenzimidazol-2-yl)-1H-pyridazin-6-one;ethanol;ethyl acetate;methane
CID 159942571
N-[2-(cyclopropylamino)-4-methylphenyl]-6-methylpyridazine-4-carboxamide;2-N-cyclopropyl-4-methylbenzene-1,2-diamine;1-cyclopropyl-6-methyl-2-(6-methylpyridazin-4-yl)benzimidazole;dichloromethane;6-methylpyridazine-4-carboxylic acid
CID 161408981

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-4-isocyanophenyl]-6-methoxypyridazine-4-carboxamide;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;1-cyclopropyl-6-isocyano-2-(6-methoxypyridazin-4-yl)benzimidazole;dichloromethane;6-methoxypyridazine-4-carboxylic acid?
The IUPAC name of N-[2-(cyclopropylamino)-4-isocyanophenyl]-6-methoxypyridazine-4-carboxamide;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;1-cyclopropyl-6-isocyano-2-(6-methoxypyridazin-4-yl)benzimidazole;dichloromethane;6-methoxypyridazine-4-carboxylic acid (CID 159883442) is N-[2-(cyclopropylamino)-4-isocyanophenyl]-6-methoxypyridazine-4-carboxamide;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;1-cyclopropyl-6-isocyano-2-(6-methoxypyridazin-4-yl)benzimidazole;dichloromethane;6-methoxypyridazine-4-carboxylic acid.
What is the SMILES notation for N-[2-(cyclopropylamino)-4-isocyanophenyl]-6-methoxypyridazine-4-carboxamide;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;1-cyclopropyl-6-isocyano-2-(6-methoxypyridazin-4-yl)benzimidazole;dichloromethane;6-methoxypyridazine-4-carboxylic acid?
The canonical SMILES for N-[2-(cyclopropylamino)-4-isocyanophenyl]-6-methoxypyridazine-4-carboxamide;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;1-cyclopropyl-6-isocyano-2-(6-methoxypyridazin-4-yl)benzimidazole;dichloromethane;6-methoxypyridazine-4-carboxylic acid is COc1cc(C(=O)O)cnn1.ClCCl.[C-]#[N+]c1ccc(N)c(NC2CC2)c1.[C-]#[N+]c1ccc(NC(=O)c2cnnc(OC)c2)c(NC2CC2)c1.[C-]#[N+]c1ccc2nc(-c3cnnc(OC)c3)n(C3CC3)c2c1.
What is the InChIKey of N-[2-(cyclopropylamino)-4-isocyanophenyl]-6-methoxypyridazine-4-carboxamide;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;1-cyclopropyl-6-isocyano-2-(6-methoxypyridazin-4-yl)benzimidazole;dichloromethane;6-methoxypyridazine-4-carboxylic acid?
The InChIKey is NTVCPJPHSQSJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2.C16H13N5O.C10H11N3.C6H6N2O3.CH2Cl2/c1-17-12-5-6-13(14(8-12)19-11-3-4-11)20-16(22)10-7-15(23-2)21-18-9-10;1-17-11-3-6-13-14(8-11)21(12-4-5-12)16(19-13)10-7-15(22-2)20-18-9-10;1-12-8-4-5-9(11)10(6-8)13-7-2-3-7;1-11-5-2-4(6(9)10)3-7-8-5;2-1-3/h5-9,11,19H,3-4H2,2H3,(H,20,22);3,6-9,12H,4-5H2,2H3;4-7,13H,2-3,11H2;2-3H,1H3,(H,9,10);1H2.
What are the key properties of N-[2-(cyclopropylamino)-4-isocyanophenyl]-6-methoxypyridazine-4-carboxamide;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;1-cyclopropyl-6-isocyano-2-(6-methoxypyridazin-4-yl)benzimidazole;dichloromethane;6-methoxypyridazine-4-carboxylic acid?
N-[2-(cyclopropylamino)-4-isocyanophenyl]-6-methoxypyridazine-4-carboxamide;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;1-cyclopropyl-6-isocyano-2-(6-methoxypyridazin-4-yl)benzimidazole;dichloromethane;6-methoxypyridazine-4-carboxylic acid has a molecular weight of 1012.92 g/mol, XLogP of 10.25, 12 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-4-isocyanophenyl]-6-methoxypyridazine-4-carboxamide;2-N-cyclopropyl-4-isocyanobenzene-1,2-diamine;1-cyclopropyl-6-isocyano-2-(6-methoxypyridazin-4-yl)benzimidazole;dichloromethane;6-methoxypyridazine-4-carboxylic acid is sourced from PubChem (CID 159883442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).