1-(6-amino-3-pyridinyl)azetidine-3-carbonitrile;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;5-fluoro-2-nitropyridine;bis(6-[[5-(3-isocyanoazetidin-1-yl)-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide);1-(6-nitro-3-pyridinyl)azetidine-3-carbonitrile

C89H87ClFN39O10 — CID 163978693

IUPAC1-(6-amino-3-pyridinyl)azetidine-3-carbonitrile;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;5-fluoro-2-nitropyridine;bis(6-[[5-(3-isocyanoazetidin-1-yl)-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide);1-(6-nitro-3-pyridinyl)azetidine-3-carbonitrile
SMILESN#CC1CN(c2ccc(N)nc2)C1.N#CC1CN(c2ccc([N+](=O)[O-])nc2)C1.O=[N+]([O-])c1ccc(F)cn1.[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1cccc(-c2ncn(C)n2)c1OC.[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(N3CC([N+]#[C-])C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC.[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(N3CC([N+]#[C-])C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/2C25H25N11O2.C16H16ClN7O2.C9H8N4O2.C9H10N4.C5H3FN2O2/c2*1-26-15-12-36(13-15)16-8-9-20(28-11-16)31-21-10-19(22(33-32-21)25(37)27-2)30-18-7-5-6-17(23(18)38-4)24-29-14-35(3)34-24;1-18-16(25)13-11(7-12(17)21-22-13)20-10-6-4-5-9(14(10)26-3)15-19-8-24(2)23-15;10-3-7-5-12(6-7)8-1-2-9(11-4-8)13(14)15;10-3-7-5-13(6-7)8-1-2-9(11)12-4-8;6-4-1-2-5(7-3-4)8(9)10/h2*5-11,14-15H,12-13H2,2-4H3,(H,27,37)(H2,28,30,31,32);4-8H,1-3H3,(H,18,25)(H,20,21);1-2,4,7H,5-6H2;1-2,4,7H,5-6H2,(H2,11,12);1-3H/i2*2D3;1D3;;;
InChIKeySWLMZCZKYUXGJA-KRTDHEQMSA-N
MW1926.44 g/mol
LogP10.00
Rot. Bonds28

About 1-(6-amino-3-pyridinyl)azetidine-3-carbonitrile;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;5-fluoro-2-nitropyridine;bis(6-[[5-(3-isocyanoazetidin-1-yl)-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide);1-(6-nitro-3-pyridinyl)azetidine-3-carbonitrile

1-(6-amino-3-pyridinyl)azetidine-3-carbonitrile;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;5-fluoro-2-nitropyridine;bis(6-[[5-(3-isocyanoazetidin-1-yl)-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide);1-(6-nitro-3-pyridinyl)azetidine-3-carbonitrile (PubChem CID 163978693) has the molecular formula C89H87ClFN39O10 and a molecular weight of 1926.44 g/mol. Its IUPAC name is 1-(6-amino-3-pyridinyl)azetidine-3-carbonitrile;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;5-fluoro-2-nitropyridine;bis(6-[[5-(3-isocyanoazetidin-1-yl)-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide);1-(6-nitro-3-pyridinyl)azetidine-3-carbonitrile.

Molecular Properties

Compound Name1-(6-amino-3-pyridinyl)azetidine-3-carbonitrile;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;5-fluoro-2-nitropyridine;bis(6-[[5-(3-isocyanoazetidin-1-yl)-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide);1-(6-nitro-3-pyridinyl)azetidine-3-carbonitrile
PubChem CID163978693
Molecular FormulaC89H87ClFN39O10
Molecular Weight1926.44 g/mol
Exact Mass1924.77
IUPAC Name1-(6-amino-3-pyridinyl)azetidine-3-carbonitrile;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;5-fluoro-2-nitropyridine;bis(6-[[5-(3-isocyanoazetidin-1-yl)-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide);1-(6-nitro-3-pyridinyl)azetidine-3-carbonitrile
SMILESN#CC1CN(c2ccc(N)nc2)C1.N#CC1CN(c2ccc([N+](=O)[O-])nc2)C1.O=[N+]([O-])c1ccc(F)cn1.[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1cccc(-c2ncn(C)n2)c1OC.[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(N3CC([N+]#[C-])C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC.[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(N3CC([N+]#[C-])C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/2C25H25N11O2.C16H16ClN7O2.C9H8N4O2.C9H10N4.C5H3FN2O2/c2*1-26-15-12-36(13-15)16-8-9-20(28-11-16)31-21-10-19(22(33-32-21)25(37)27-2)30-18-7-5-6-17(23(18)38-4)24-29-14-35(3)34-24;1-18-16(25)13-11(7-12(17)21-22-13)20-10-6-4-5-9(14(10)26-3)15-19-8-24(2)23-15;10-3-7-5-12(6-7)8-1-2-9(11-4-8)13(14)15;10-3-7-5-13(6-7)8-1-2-9(11)12-4-8;6-4-1-2-5(7-3-4)8(9)10/h2*5-11,14-15H,12-13H2,2-4H3,(H,27,37)(H2,28,30,31,32);4-8H,1-3H3,(H,18,25)(H,20,21);1-2,4,7H,5-6H2;1-2,4,7H,5-6H2,(H2,11,12);1-3H/i2*2D3;1D3;;;
InChIKeySWLMZCZKYUXGJA-KRTDHEQMSA-N
XLogP10.00
TPSA590.62 Ų
H-Bond Donors9
H-Bond Acceptors42
Rotatable Bonds28
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001926.44
LogP ≤ 510.00
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(6-amino-3-pyridinyl)azetidine-3-carbonitrile;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;5-fluoro-2-nitropyridine;bis(6-[[5-(3-isocyanoazetidin-1-yl)-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide);1-(6-nitro-3-pyridinyl)azetidine-3-carbonitrile with MolForge

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Related Compounds

6-[[5-(azetidin-1-yl)-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide;methane
CID 163894422
6-[(5-acetyl-2-pyridinyl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 175179670
6-[(3-ethenyloxetan-3-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 154662995
6-[(1-cyclopropylpyrazol-3-yl)amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166492823
4-[5-[[(6-amino-3-fluoro-2-pyridinyl)methyl-methylamino]methyl]-2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-chloro-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 171436820
6-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 155270626
6-[[5-[5-[4-[6-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]pyrimidin-4-yl]piperazin-1-yl]pentylcarbamoyl]-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 177305967
6-[[5-[2-[2-[2-[4-[6-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethylcarbamoyl]-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 177305983
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(3-methyl-2-oxoimidazolidin-1-yl)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 155270630
sodium;6-(3-acetyl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(2-oxoimidazolidin-1-yl)-N-(trideuteriomethyl)pyridazine-3-carboxamide;hydroxide
CID 158343159
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(pyridin-2-ylsulfonylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157021012
6-[[2-methoxyethyl(methyl)carbamoyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 168736606

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3-pyridinyl)azetidine-3-carbonitrile;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;5-fluoro-2-nitropyridine;bis(6-[[5-(3-isocyanoazetidin-1-yl)-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide);1-(6-nitro-3-pyridinyl)azetidine-3-carbonitrile?
The IUPAC name of 1-(6-amino-3-pyridinyl)azetidine-3-carbonitrile;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;5-fluoro-2-nitropyridine;bis(6-[[5-(3-isocyanoazetidin-1-yl)-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide);1-(6-nitro-3-pyridinyl)azetidine-3-carbonitrile (CID 163978693) is 1-(6-amino-3-pyridinyl)azetidine-3-carbonitrile;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;5-fluoro-2-nitropyridine;bis(6-[[5-(3-isocyanoazetidin-1-yl)-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide);1-(6-nitro-3-pyridinyl)azetidine-3-carbonitrile.
What is the SMILES notation for 1-(6-amino-3-pyridinyl)azetidine-3-carbonitrile;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;5-fluoro-2-nitropyridine;bis(6-[[5-(3-isocyanoazetidin-1-yl)-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide);1-(6-nitro-3-pyridinyl)azetidine-3-carbonitrile?
The canonical SMILES for 1-(6-amino-3-pyridinyl)azetidine-3-carbonitrile;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;5-fluoro-2-nitropyridine;bis(6-[[5-(3-isocyanoazetidin-1-yl)-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide);1-(6-nitro-3-pyridinyl)azetidine-3-carbonitrile is N#CC1CN(c2ccc(N)nc2)C1.N#CC1CN(c2ccc([N+](=O)[O-])nc2)C1.O=[N+]([O-])c1ccc(F)cn1.[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1cccc(-c2ncn(C)n2)c1OC.[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(N3CC([N+]#[C-])C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC.[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(N3CC([N+]#[C-])C3)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC.
What is the InChIKey of 1-(6-amino-3-pyridinyl)azetidine-3-carbonitrile;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;5-fluoro-2-nitropyridine;bis(6-[[5-(3-isocyanoazetidin-1-yl)-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide);1-(6-nitro-3-pyridinyl)azetidine-3-carbonitrile?
The InChIKey is SWLMZCZKYUXGJA-KRTDHEQMSA-N. The full InChI is InChI=1S/2C25H25N11O2.C16H16ClN7O2.C9H8N4O2.C9H10N4.C5H3FN2O2/c2*1-26-15-12-36(13-15)16-8-9-20(28-11-16)31-21-10-19(22(33-32-21)25(37)27-2)30-18-7-5-6-17(23(18)38-4)24-29-14-35(3)34-24;1-18-16(25)13-11(7-12(17)21-22-13)20-10-6-4-5-9(14(10)26-3)15-19-8-24(2)23-15;10-3-7-5-12(6-7)8-1-2-9(11-4-8)13(14)15;10-3-7-5-13(6-7)8-1-2-9(11)12-4-8;6-4-1-2-5(7-3-4)8(9)10/h2*5-11,14-15H,12-13H2,2-4H3,(H,27,37)(H2,28,30,31,32);4-8H,1-3H3,(H,18,25)(H,20,21);1-2,4,7H,5-6H2;1-2,4,7H,5-6H2,(H2,11,12);1-3H/i2*2D3;1D3;;;.
What are the key properties of 1-(6-amino-3-pyridinyl)azetidine-3-carbonitrile;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;5-fluoro-2-nitropyridine;bis(6-[[5-(3-isocyanoazetidin-1-yl)-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide);1-(6-nitro-3-pyridinyl)azetidine-3-carbonitrile?
1-(6-amino-3-pyridinyl)azetidine-3-carbonitrile;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;5-fluoro-2-nitropyridine;bis(6-[[5-(3-isocyanoazetidin-1-yl)-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide);1-(6-nitro-3-pyridinyl)azetidine-3-carbonitrile has a molecular weight of 1926.44 g/mol, XLogP of 10.00, 28 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3-pyridinyl)azetidine-3-carbonitrile;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;5-fluoro-2-nitropyridine;bis(6-[[5-(3-isocyanoazetidin-1-yl)-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide);1-(6-nitro-3-pyridinyl)azetidine-3-carbonitrile is sourced from PubChem (CID 163978693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).