2-(azetidin-1-yl)-5-nitropyridine;6-(azetidin-1-yl)pyridin-3-amine;1-[6-(azetidin-1-yl)-3-pyridinyl]-4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(dimethylamino)-3-pyridinyl]propan-2-one

C70H84Cl3N17O6 — CID 159826285

IUPAC2-(azetidin-1-yl)-5-nitropyridine;6-(azetidin-1-yl)pyridin-3-amine;1-[6-(azetidin-1-yl)-3-pyridinyl]-4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(dimethylamino)-3-pyridinyl]propan-2-one
SMILESCC(=O)Cc1ccc(N(C)C)nc1.CC(C)(C)c1cc(CCC(=O)Cc2ccc(N3CCC3)nc2)n(-c2cccc(Cl)c2)n1.CC(C)(C)c1cc(CN)n(-c2cccc(Cl)c2)n1.Nc1ccc(N2CCC2)nc1.O=[N+]([O-])c1ccc(Cl)nc1.O=[N+]([O-])c1ccc(N2CCC2)nc1
InChIInChI=1S/C25H29ClN4O.C14H18ClN3.C10H14N2O.C8H9N3O2.C8H11N3.C5H3ClN2O2/c1-25(2,3)23-16-21(30(28-23)20-7-4-6-19(26)15-20)9-10-22(31)14-18-8-11-24(27-17-18)29-12-5-13-29;1-14(2,3)13-8-12(9-16)18(17-13)11-6-4-5-10(15)7-11;1-8(13)6-9-4-5-10(11-7-9)12(2)3;12-11(13)7-2-3-8(9-6-7)10-4-1-5-10;9-7-2-3-8(10-6-7)11-4-1-5-11;6-5-2-1-4(3-7-5)8(9)10/h4,6-8,11,15-17H,5,9-10,12-14H2,1-3H3;4-8H,9,16H2,1-3H3;4-5,7H,6H2,1-3H3;2-3,6H,1,4-5H2;2-3,6H,1,4-5,9H2;1-3H
InChIKeyNMWLFJCDSNJHIO-UHFFFAOYSA-N
MW1365.91 g/mol
LogP13.45
Rot. Bonds16

About 2-(azetidin-1-yl)-5-nitropyridine;6-(azetidin-1-yl)pyridin-3-amine;1-[6-(azetidin-1-yl)-3-pyridinyl]-4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(dimethylamino)-3-pyridinyl]propan-2-one

2-(azetidin-1-yl)-5-nitropyridine;6-(azetidin-1-yl)pyridin-3-amine;1-[6-(azetidin-1-yl)-3-pyridinyl]-4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(dimethylamino)-3-pyridinyl]propan-2-one (PubChem CID 159826285) has the molecular formula C70H84Cl3N17O6 and a molecular weight of 1365.91 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-5-nitropyridine;6-(azetidin-1-yl)pyridin-3-amine;1-[6-(azetidin-1-yl)-3-pyridinyl]-4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(dimethylamino)-3-pyridinyl]propan-2-one.

Molecular Properties

Compound Name2-(azetidin-1-yl)-5-nitropyridine;6-(azetidin-1-yl)pyridin-3-amine;1-[6-(azetidin-1-yl)-3-pyridinyl]-4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(dimethylamino)-3-pyridinyl]propan-2-one
PubChem CID159826285
Molecular FormulaC70H84Cl3N17O6
Molecular Weight1365.91 g/mol
Exact Mass1363.59
IUPAC Name2-(azetidin-1-yl)-5-nitropyridine;6-(azetidin-1-yl)pyridin-3-amine;1-[6-(azetidin-1-yl)-3-pyridinyl]-4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(dimethylamino)-3-pyridinyl]propan-2-one
SMILESCC(=O)Cc1ccc(N(C)C)nc1.CC(C)(C)c1cc(CCC(=O)Cc2ccc(N3CCC3)nc2)n(-c2cccc(Cl)c2)n1.CC(C)(C)c1cc(CN)n(-c2cccc(Cl)c2)n1.Nc1ccc(N2CCC2)nc1.O=[N+]([O-])c1ccc(Cl)nc1.O=[N+]([O-])c1ccc(N2CCC2)nc1
InChIInChI=1S/C25H29ClN4O.C14H18ClN3.C10H14N2O.C8H9N3O2.C8H11N3.C5H3ClN2O2/c1-25(2,3)23-16-21(30(28-23)20-7-4-6-19(26)15-20)9-10-22(31)14-18-8-11-24(27-17-18)29-12-5-13-29;1-14(2,3)13-8-12(9-16)18(17-13)11-6-4-5-10(15)7-11;1-8(13)6-9-4-5-10(11-7-9)12(2)3;12-11(13)7-2-3-8(9-6-7)10-4-1-5-10;9-7-2-3-8(10-6-7)11-4-1-5-11;6-5-2-1-4(3-7-5)8(9)10/h4,6-8,11,15-17H,5,9-10,12-14H2,1-3H3;4-8H,9,16H2,1-3H3;4-5,7H,6H2,1-3H3;2-3,6H,1,4-5H2;2-3,6H,1,4-5,9H2;1-3H
InChIKeyNMWLFJCDSNJHIO-UHFFFAOYSA-N
XLogP13.45
TPSA285.51 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001365.91
LogP ≤ 513.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-3-iodo-5-nitropyridine;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine;2-N,2-N-dimethyl-3-(trifluoromethyl)pyridine-2,5-diamine
CID 157935435
2-chloro-3-iodo-5-nitropyridine;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine;2-N,2-N-dimethyl-3-(trifluoromethyl)pyridine-2,5-diamine
CID 162054399
1,3-bis(2-chlorophenyl)-1,3-bis[4-[(5-methyl-4-nitro-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)-3-pyridinyl]propan-2-one
CID 142754266
1,3-bis(2-chlorophenyl)-1,3-bis[4-[(5-methyl-4-nitro-1H-pyrazol-3-yl)amino]-6-morpholin-4-yl-3-pyridinyl]propan-2-one
CID 142754268
2-[(5-Amino-2-pyridinyl)amino]ethanol;4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol
CID 157426061
2-[(5-Amino-2-pyridinyl)amino]ethanol;2-chloro-5-nitropyridine;4-[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[2-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride
CID 157461240
[3-Tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)butan-2-one;2-chloro-5-nitropyridine;5-nitro-2-pyrrolidin-1-ylpyridine;6-pyrrolidin-1-ylpyridin-3-amine;1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-2-one
CID 157734764
[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-1-[6-(2-methoxyethylamino)-3-pyridinyl]butan-2-one;2-chloro-5-nitropyridine;1-[6-(2-methoxyethylamino)-3-pyridinyl]propan-2-one;N-(2-methoxyethyl)-5-nitropyridin-2-amine;2-N-(2-methoxyethyl)pyridine-2,5-diamine;hydrochloride
CID 157842726
2-[3-Amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-(2-chloro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-[5-(4-methylpiperazin-1-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-5-ium-2-yl]ethanone;1-methylpiperazine
CID 157869321
Acetyl chloride;2-(azetidin-1-yl)-5-nitropyridine;6-(azetidin-1-yl)pyridin-3-amine;1-[6-(azetidin-1-yl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;1-[6-(azetidin-1-yl)-3-pyridinyl]propan-2-one;2-chloro-5-nitropyridine;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 157941685
2-Chloro-5-nitropyridine;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)butan-2-one;5-nitro-2-pyrrolidin-1-ylpyridine;6-pyrrolidin-1-ylpyridin-3-amine;1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-2-one
CID 158707450
2-[(5-Amino-2-pyridinyl)-methylamino]ethanol;2-chloro-5-nitropyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]propan-2-one;2-[methyl-(5-nitro-2-pyridinyl)amino]ethanol;hydrochloride
CID 160619282

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-5-nitropyridine;6-(azetidin-1-yl)pyridin-3-amine;1-[6-(azetidin-1-yl)-3-pyridinyl]-4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(dimethylamino)-3-pyridinyl]propan-2-one?
The IUPAC name of 2-(azetidin-1-yl)-5-nitropyridine;6-(azetidin-1-yl)pyridin-3-amine;1-[6-(azetidin-1-yl)-3-pyridinyl]-4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(dimethylamino)-3-pyridinyl]propan-2-one (CID 159826285) is 2-(azetidin-1-yl)-5-nitropyridine;6-(azetidin-1-yl)pyridin-3-amine;1-[6-(azetidin-1-yl)-3-pyridinyl]-4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(dimethylamino)-3-pyridinyl]propan-2-one.
What is the SMILES notation for 2-(azetidin-1-yl)-5-nitropyridine;6-(azetidin-1-yl)pyridin-3-amine;1-[6-(azetidin-1-yl)-3-pyridinyl]-4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(dimethylamino)-3-pyridinyl]propan-2-one?
The canonical SMILES for 2-(azetidin-1-yl)-5-nitropyridine;6-(azetidin-1-yl)pyridin-3-amine;1-[6-(azetidin-1-yl)-3-pyridinyl]-4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(dimethylamino)-3-pyridinyl]propan-2-one is CC(=O)Cc1ccc(N(C)C)nc1.CC(C)(C)c1cc(CCC(=O)Cc2ccc(N3CCC3)nc2)n(-c2cccc(Cl)c2)n1.CC(C)(C)c1cc(CN)n(-c2cccc(Cl)c2)n1.Nc1ccc(N2CCC2)nc1.O=[N+]([O-])c1ccc(Cl)nc1.O=[N+]([O-])c1ccc(N2CCC2)nc1.
What is the InChIKey of 2-(azetidin-1-yl)-5-nitropyridine;6-(azetidin-1-yl)pyridin-3-amine;1-[6-(azetidin-1-yl)-3-pyridinyl]-4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(dimethylamino)-3-pyridinyl]propan-2-one?
The InChIKey is NMWLFJCDSNJHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O.C14H18ClN3.C10H14N2O.C8H9N3O2.C8H11N3.C5H3ClN2O2/c1-25(2,3)23-16-21(30(28-23)20-7-4-6-19(26)15-20)9-10-22(31)14-18-8-11-24(27-17-18)29-12-5-13-29;1-14(2,3)13-8-12(9-16)18(17-13)11-6-4-5-10(15)7-11;1-8(13)6-9-4-5-10(11-7-9)12(2)3;12-11(13)7-2-3-8(9-6-7)10-4-1-5-10;9-7-2-3-8(10-6-7)11-4-1-5-11;6-5-2-1-4(3-7-5)8(9)10/h4,6-8,11,15-17H,5,9-10,12-14H2,1-3H3;4-8H,9,16H2,1-3H3;4-5,7H,6H2,1-3H3;2-3,6H,1,4-5H2;2-3,6H,1,4-5,9H2;1-3H.
What are the key properties of 2-(azetidin-1-yl)-5-nitropyridine;6-(azetidin-1-yl)pyridin-3-amine;1-[6-(azetidin-1-yl)-3-pyridinyl]-4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(dimethylamino)-3-pyridinyl]propan-2-one?
2-(azetidin-1-yl)-5-nitropyridine;6-(azetidin-1-yl)pyridin-3-amine;1-[6-(azetidin-1-yl)-3-pyridinyl]-4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(dimethylamino)-3-pyridinyl]propan-2-one has a molecular weight of 1365.91 g/mol, XLogP of 13.45, 16 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-5-nitropyridine;6-(azetidin-1-yl)pyridin-3-amine;1-[6-(azetidin-1-yl)-3-pyridinyl]-4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(dimethylamino)-3-pyridinyl]propan-2-one is sourced from PubChem (CID 159826285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).