N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]pyrrolidine-1-carboxamide;6-chloro-3-nitropyridin-2-amine;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyrrolidine-1-carboxamide;methanol;pyrrolidine-1-carbonyl chloride

C60H62BCl2F4N15O12 — CID 159271577

IUPACN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]pyrrolidine-1-carboxamide;6-chloro-3-nitropyridin-2-amine;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyrrolidine-1-carboxamide;methanol;pyrrolidine-1-carbonyl chloride
SMILESCO.Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)N1CCCC1.Nc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-].Nc1nc(Cl)ccc1[N+](=O)[O-].O=C(Cl)N1CCCC1.O=C(Nc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-])N1CCCC1.OB(O)c1ccc(F)cc1
InChIInChI=1S/C16H15FN4O3.C16H17FN4O.C11H8FN3O2.C6H6BFO2.C5H4ClN3O2.C5H8ClNO.CH4O/c17-12-5-3-11(4-6-12)13-7-8-14(21(23)24)15(18-13)19-16(22)20-9-1-2-10-20;17-12-5-3-11(4-6-12)14-8-7-13(18)15(19-14)20-16(22)21-9-1-2-10-21;12-8-3-1-7(2-4-8)9-5-6-10(15(16)17)11(13)14-9;8-6-3-1-5(2-4-6)7(9)10;6-4-2-1-3(9(10)11)5(7)8-4;6-5(8)7-3-1-2-4-7;1-2/h3-8H,1-2,9-10H2,(H,18,19,22);3-8H,1-2,9-10,18H2,(H,19,20,22);1-6H,(H2,13,14);1-4,9-10H;1-2H,(H2,7,8);1-4H2;2H,1H3
InChIKeyKXTXQORLMFPKLL-UHFFFAOYSA-N
MW1342.96 g/mol
LogP10.68
Rot. Bonds9

About N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]pyrrolidine-1-carboxamide;6-chloro-3-nitropyridin-2-amine;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyrrolidine-1-carboxamide;methanol;pyrrolidine-1-carbonyl chloride

N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]pyrrolidine-1-carboxamide;6-chloro-3-nitropyridin-2-amine;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyrrolidine-1-carboxamide;methanol;pyrrolidine-1-carbonyl chloride (PubChem CID 159271577) has the molecular formula C60H62BCl2F4N15O12 and a molecular weight of 1342.96 g/mol. Its IUPAC name is N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]pyrrolidine-1-carboxamide;6-chloro-3-nitropyridin-2-amine;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyrrolidine-1-carboxamide;methanol;pyrrolidine-1-carbonyl chloride.

Molecular Properties

Compound NameN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]pyrrolidine-1-carboxamide;6-chloro-3-nitropyridin-2-amine;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyrrolidine-1-carboxamide;methanol;pyrrolidine-1-carbonyl chloride
PubChem CID159271577
Molecular FormulaC60H62BCl2F4N15O12
Molecular Weight1342.96 g/mol
Exact Mass1341.41
IUPAC NameN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]pyrrolidine-1-carboxamide;6-chloro-3-nitropyridin-2-amine;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyrrolidine-1-carboxamide;methanol;pyrrolidine-1-carbonyl chloride
SMILESCO.Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)N1CCCC1.Nc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-].Nc1nc(Cl)ccc1[N+](=O)[O-].O=C(Cl)N1CCCC1.O=C(Nc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-])N1CCCC1.OB(O)c1ccc(F)cc1
InChIInChI=1S/C16H15FN4O3.C16H17FN4O.C11H8FN3O2.C6H6BFO2.C5H4ClN3O2.C5H8ClNO.CH4O/c17-12-5-3-11(4-6-12)13-7-8-14(21(23)24)15(18-13)19-16(22)20-9-1-2-10-20;17-12-5-3-11(4-6-12)14-8-7-13(18)15(19-14)20-16(22)21-9-1-2-10-21;12-8-3-1-7(2-4-8)9-5-6-10(15(16)17)11(13)14-9;8-6-3-1-5(2-4-6)7(9)10;6-4-2-1-3(9(10)11)5(7)8-4;6-5(8)7-3-1-2-4-7;1-2/h3-8H,1-2,9-10H2,(H,18,19,22);3-8H,1-2,9-10,18H2,(H,19,20,22);1-6H,(H2,13,14);1-4,9-10H;1-2H,(H2,7,8);1-4H2;2H,1H3
InChIKeyKXTXQORLMFPKLL-UHFFFAOYSA-N
XLogP10.68
TPSA404.72 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds9
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001342.96
LogP ≤ 510.68
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-methyl-1H-imidazo[4,5-b]pyridin-2-one;5-chloro-3-methyl-1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-one;(4-fluoro-2-methylphenyl)boronic acid;5-(4-fluoro-2-methylphenyl)-3-methyl-1-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-2-one;1,1,1-trifluoro-4-iodobutane
CID 161567699
N-[5-amino-2-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide;6-chloro-3-nitropyridin-2-amine;(4-fluorophenyl)boronic acid;2-(4-fluorophenyl)-5-nitropyrimidin-4-amine;N-[2-(4-fluorophenyl)-5-nitropyrimidin-4-yl]pyrrolidine-1-carboxamide;methanol;pyrrolidine
CID 159379247
N-[5-amino-2-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide;2-chloro-5-nitropyrimidin-4-amine;(4-fluorophenyl)boronic acid;2-(4-fluorophenyl)-5-nitropyrimidin-4-amine;N-[2-(4-fluorophenyl)-5-nitropyrimidin-4-yl]pyrrolidine-1-carboxamide;methanol;pyrrolidine
CID 161116396
N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]pyrrolidine-1-carboxamide;6-chloro-3-nitropyridin-2-amine;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyrrolidine-1-carboxamide;methane;methanol;pyrrolidine-1-carbonyl chloride
CID 161499239
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-[2-(4-methylpiperazin-1-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-methylpiperazine
CID 162151559

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]pyrrolidine-1-carboxamide;6-chloro-3-nitropyridin-2-amine;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyrrolidine-1-carboxamide;methanol;pyrrolidine-1-carbonyl chloride?
The IUPAC name of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]pyrrolidine-1-carboxamide;6-chloro-3-nitropyridin-2-amine;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyrrolidine-1-carboxamide;methanol;pyrrolidine-1-carbonyl chloride (CID 159271577) is N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]pyrrolidine-1-carboxamide;6-chloro-3-nitropyridin-2-amine;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyrrolidine-1-carboxamide;methanol;pyrrolidine-1-carbonyl chloride.
What is the SMILES notation for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]pyrrolidine-1-carboxamide;6-chloro-3-nitropyridin-2-amine;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyrrolidine-1-carboxamide;methanol;pyrrolidine-1-carbonyl chloride?
The canonical SMILES for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]pyrrolidine-1-carboxamide;6-chloro-3-nitropyridin-2-amine;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyrrolidine-1-carboxamide;methanol;pyrrolidine-1-carbonyl chloride is CO.Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)N1CCCC1.Nc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-].Nc1nc(Cl)ccc1[N+](=O)[O-].O=C(Cl)N1CCCC1.O=C(Nc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-])N1CCCC1.OB(O)c1ccc(F)cc1.
What is the InChIKey of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]pyrrolidine-1-carboxamide;6-chloro-3-nitropyridin-2-amine;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyrrolidine-1-carboxamide;methanol;pyrrolidine-1-carbonyl chloride?
The InChIKey is KXTXQORLMFPKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3.C16H17FN4O.C11H8FN3O2.C6H6BFO2.C5H4ClN3O2.C5H8ClNO.CH4O/c17-12-5-3-11(4-6-12)13-7-8-14(21(23)24)15(18-13)19-16(22)20-9-1-2-10-20;17-12-5-3-11(4-6-12)14-8-7-13(18)15(19-14)20-16(22)21-9-1-2-10-21;12-8-3-1-7(2-4-8)9-5-6-10(15(16)17)11(13)14-9;8-6-3-1-5(2-4-6)7(9)10;6-4-2-1-3(9(10)11)5(7)8-4;6-5(8)7-3-1-2-4-7;1-2/h3-8H,1-2,9-10H2,(H,18,19,22);3-8H,1-2,9-10,18H2,(H,19,20,22);1-6H,(H2,13,14);1-4,9-10H;1-2H,(H2,7,8);1-4H2;2H,1H3.
What are the key properties of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]pyrrolidine-1-carboxamide;6-chloro-3-nitropyridin-2-amine;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyrrolidine-1-carboxamide;methanol;pyrrolidine-1-carbonyl chloride?
N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]pyrrolidine-1-carboxamide;6-chloro-3-nitropyridin-2-amine;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyrrolidine-1-carboxamide;methanol;pyrrolidine-1-carbonyl chloride has a molecular weight of 1342.96 g/mol, XLogP of 10.68, 9 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]pyrrolidine-1-carboxamide;6-chloro-3-nitropyridin-2-amine;(4-fluorophenyl)boronic acid;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]pyrrolidine-1-carboxamide;methanol;pyrrolidine-1-carbonyl chloride is sourced from PubChem (CID 159271577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).