2-[[2-amino-4-(2-chloro-3-pyridinyl)phenyl]methylideneamino]acetamide;2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[5-(2-chloro-3-pyridinyl)-2-methanimidoylanilino]acetamide

C42H38BrCl3N12O3 — CID 158910557

IUPAC2-[[2-amino-4-(2-chloro-3-pyridinyl)phenyl]methylideneamino]acetamide;2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[5-(2-chloro-3-pyridinyl)-2-methanimidoylanilino]acetamide
SMILESClc1ncccc1-c1ccc2cn[nH]c2c1.NC(=O)C/N=C/c1ccc(-c2cccnc2Cl)cc1N.NC(=O)CBr.[H]/N=C/c1ccc(-c2cccnc2Cl)cc1NCC(N)=O
InChIInChI=1S/2C14H13ClN4O.C12H8ClN3.C2H4BrNO/c15-14-11(2-1-5-19-14)9-3-4-10(12(16)6-9)7-18-8-13(17)20;15-14-11(2-1-5-18-14)9-3-4-10(7-16)12(6-9)19-8-13(17)20;13-12-10(2-1-5-14-12)8-3-4-9-7-15-16-11(9)6-8;3-1-2(4)5/h1-7H,8,16H2,(H2,17,20);1-7,16,19H,8H2,(H2,17,20);1-7H,(H,15,16);1H2,(H2,4,5)/b18-7+;16-7+;;
InChIKeyLHBBRXXLIWOPLN-GJVQOZBASA-N
MW945.11 g/mol
LogP7.33
Rot. Bonds11

About 2-[[2-amino-4-(2-chloro-3-pyridinyl)phenyl]methylideneamino]acetamide;2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[5-(2-chloro-3-pyridinyl)-2-methanimidoylanilino]acetamide

2-[[2-amino-4-(2-chloro-3-pyridinyl)phenyl]methylideneamino]acetamide;2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[5-(2-chloro-3-pyridinyl)-2-methanimidoylanilino]acetamide (PubChem CID 158910557) has the molecular formula C42H38BrCl3N12O3 and a molecular weight of 945.11 g/mol. Its IUPAC name is 2-[[2-amino-4-(2-chloro-3-pyridinyl)phenyl]methylideneamino]acetamide;2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[5-(2-chloro-3-pyridinyl)-2-methanimidoylanilino]acetamide.

Molecular Properties

Compound Name2-[[2-amino-4-(2-chloro-3-pyridinyl)phenyl]methylideneamino]acetamide;2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[5-(2-chloro-3-pyridinyl)-2-methanimidoylanilino]acetamide
PubChem CID158910557
Molecular FormulaC42H38BrCl3N12O3
Molecular Weight945.11 g/mol
Exact Mass942.14
IUPAC Name2-[[2-amino-4-(2-chloro-3-pyridinyl)phenyl]methylideneamino]acetamide;2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[5-(2-chloro-3-pyridinyl)-2-methanimidoylanilino]acetamide
SMILESClc1ncccc1-c1ccc2cn[nH]c2c1.NC(=O)C/N=C/c1ccc(-c2cccnc2Cl)cc1N.NC(=O)CBr.[H]/N=C/c1ccc(-c2cccnc2Cl)cc1NCC(N)=O
InChIInChI=1S/2C14H13ClN4O.C12H8ClN3.C2H4BrNO/c15-14-11(2-1-5-19-14)9-3-4-10(12(16)6-9)7-18-8-13(17)20;15-14-11(2-1-5-18-14)9-3-4-10(7-16)12(6-9)19-8-13(17)20;13-12-10(2-1-5-14-12)8-3-4-9-7-15-16-11(9)6-8;3-1-2(4)5/h1-7H,8,16H2,(H2,17,20);1-7,16,19H,8H2,(H2,17,20);1-7H,(H,15,16);1H2,(H2,4,5)/b18-7+;16-7+;;
InChIKeyLHBBRXXLIWOPLN-GJVQOZBASA-N
XLogP7.33
TPSA270.88 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500945.11
LogP ≤ 57.33
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[6-(2-Chloro-3-pyridinyl)indazol-2-yl]acetamide
CID 90094852
2-[6-(2-Chloro-3-pyridinyl)indazol-1-yl]acetamide
CID 90095737
2-bromoacetamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;methane
CID 157245494
2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide;2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide;methane
CID 157834510
2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide;2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide
CID 158722336
2-[[2-amino-4-(2-chloro-3-pyridinyl)phenyl]methylideneamino]acetamide;2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[5-(2-chloro-3-pyridinyl)-2-methanimidoylanilino]acetamide;methane
CID 158785406
2-bromoacetamide;2-[[4-(2-chloro-3-pyridinyl)-6-iminocyclohexa-2,4-dien-1-yl]methylideneamino]acetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[5-(2-chloro-3-pyridinyl)-2-methanimidoylanilino]acetamide
CID 160129413
2-bromoacetamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide
CID 161655360
2-[2-[2-(1,3-dimethylpiperidin-4-yl)indazol-6-yl]-5-methylpiperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide
CID 169113228
2-[(2R,5S)-2-[2-[(3R)-1,3-dimethylpiperidin-4-yl]indazol-6-yl]-5-methylpiperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide
CID 169114596
2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide
CID 169114763
2-[(2R,5S)-2-[2-[(3S)-1,3-dimethylpiperidin-4-yl]indazol-6-yl]-5-methylpiperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide
CID 169115002

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-4-(2-chloro-3-pyridinyl)phenyl]methylideneamino]acetamide;2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[5-(2-chloro-3-pyridinyl)-2-methanimidoylanilino]acetamide?
The IUPAC name of 2-[[2-amino-4-(2-chloro-3-pyridinyl)phenyl]methylideneamino]acetamide;2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[5-(2-chloro-3-pyridinyl)-2-methanimidoylanilino]acetamide (CID 158910557) is 2-[[2-amino-4-(2-chloro-3-pyridinyl)phenyl]methylideneamino]acetamide;2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[5-(2-chloro-3-pyridinyl)-2-methanimidoylanilino]acetamide.
What is the SMILES notation for 2-[[2-amino-4-(2-chloro-3-pyridinyl)phenyl]methylideneamino]acetamide;2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[5-(2-chloro-3-pyridinyl)-2-methanimidoylanilino]acetamide?
The canonical SMILES for 2-[[2-amino-4-(2-chloro-3-pyridinyl)phenyl]methylideneamino]acetamide;2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[5-(2-chloro-3-pyridinyl)-2-methanimidoylanilino]acetamide is Clc1ncccc1-c1ccc2cn[nH]c2c1.NC(=O)C/N=C/c1ccc(-c2cccnc2Cl)cc1N.NC(=O)CBr.[H]/N=C/c1ccc(-c2cccnc2Cl)cc1NCC(N)=O.
What is the InChIKey of 2-[[2-amino-4-(2-chloro-3-pyridinyl)phenyl]methylideneamino]acetamide;2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[5-(2-chloro-3-pyridinyl)-2-methanimidoylanilino]acetamide?
The InChIKey is LHBBRXXLIWOPLN-GJVQOZBASA-N. The full InChI is InChI=1S/2C14H13ClN4O.C12H8ClN3.C2H4BrNO/c15-14-11(2-1-5-19-14)9-3-4-10(12(16)6-9)7-18-8-13(17)20;15-14-11(2-1-5-18-14)9-3-4-10(7-16)12(6-9)19-8-13(17)20;13-12-10(2-1-5-14-12)8-3-4-9-7-15-16-11(9)6-8;3-1-2(4)5/h1-7H,8,16H2,(H2,17,20);1-7,16,19H,8H2,(H2,17,20);1-7H,(H,15,16);1H2,(H2,4,5)/b18-7+;16-7+;;.
What are the key properties of 2-[[2-amino-4-(2-chloro-3-pyridinyl)phenyl]methylideneamino]acetamide;2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[5-(2-chloro-3-pyridinyl)-2-methanimidoylanilino]acetamide?
2-[[2-amino-4-(2-chloro-3-pyridinyl)phenyl]methylideneamino]acetamide;2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[5-(2-chloro-3-pyridinyl)-2-methanimidoylanilino]acetamide has a molecular weight of 945.11 g/mol, XLogP of 7.33, 11 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-4-(2-chloro-3-pyridinyl)phenyl]methylideneamino]acetamide;2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[5-(2-chloro-3-pyridinyl)-2-methanimidoylanilino]acetamide is sourced from PubChem (CID 158910557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).