N-[5-amino-2-(4-fluorophenyl)-4-pyridinyl]pyrrolidine-1-carboxamide;2-bromo-5-nitropyridin-4-amine;(4-fluorophenyl)boronic acid;2-(4-fluorophenyl)-5-nitropyridin-4-amine;N-[2-(4-fluorophenyl)-5-nitro-4-pyridinyl]pyrrolidine-1-carboxamide;methane;methanol;pyrrolidine

C62H75BBrF4N15O11 — CID 160799822

IUPACN-[5-amino-2-(4-fluorophenyl)-4-pyridinyl]pyrrolidine-1-carboxamide;2-bromo-5-nitropyridin-4-amine;(4-fluorophenyl)boronic acid;2-(4-fluorophenyl)-5-nitropyridin-4-amine;N-[2-(4-fluorophenyl)-5-nitro-4-pyridinyl]pyrrolidine-1-carboxamide;methane;methanol;pyrrolidine
SMILESC.C.C.C1CCNC1.CO.Nc1cc(-c2ccc(F)cc2)ncc1[N+](=O)[O-].Nc1cc(Br)ncc1[N+](=O)[O-].Nc1cnc(-c2ccc(F)cc2)cc1NC(=O)N1CCCC1.O=C(Nc1cc(-c2ccc(F)cc2)ncc1[N+](=O)[O-])N1CCCC1.OB(O)c1ccc(F)cc1
InChIInChI=1S/C16H15FN4O3.C16H17FN4O.C11H8FN3O2.C6H6BFO2.C5H4BrN3O2.C4H9N.CH4O.3CH4/c17-12-5-3-11(4-6-12)13-9-14(15(10-18-13)21(23)24)19-16(22)20-7-1-2-8-20;17-12-5-3-11(4-6-12)14-9-15(13(18)10-19-14)20-16(22)21-7-1-2-8-21;12-8-3-1-7(2-4-8)10-5-9(13)11(6-14-10)15(16)17;8-6-3-1-5(2-4-6)7(9)10;6-5-1-3(7)4(2-8-5)9(10)11;1-2-4-5-3-1;1-2;;;/h3-6,9-10H,1-2,7-8H2,(H,18,19,22);3-6,9-10H,1-2,7-8,18H2,(H,19,20,22);1-6H,(H2,13,14);1-4,9-10H;1-2H,(H2,7,8);5H,1-4H2;2H,1H3;3*1H4
InChIKeySCXRROOGLJZILE-UHFFFAOYSA-N
MW1373.08 g/mol
LogP11.63
Rot. Bonds9

About N-[5-amino-2-(4-fluorophenyl)-4-pyridinyl]pyrrolidine-1-carboxamide;2-bromo-5-nitropyridin-4-amine;(4-fluorophenyl)boronic acid;2-(4-fluorophenyl)-5-nitropyridin-4-amine;N-[2-(4-fluorophenyl)-5-nitro-4-pyridinyl]pyrrolidine-1-carboxamide;methane;methanol;pyrrolidine

N-[5-amino-2-(4-fluorophenyl)-4-pyridinyl]pyrrolidine-1-carboxamide;2-bromo-5-nitropyridin-4-amine;(4-fluorophenyl)boronic acid;2-(4-fluorophenyl)-5-nitropyridin-4-amine;N-[2-(4-fluorophenyl)-5-nitro-4-pyridinyl]pyrrolidine-1-carboxamide;methane;methanol;pyrrolidine (PubChem CID 160799822) has the molecular formula C62H75BBrF4N15O11 and a molecular weight of 1373.08 g/mol. Its IUPAC name is N-[5-amino-2-(4-fluorophenyl)-4-pyridinyl]pyrrolidine-1-carboxamide;2-bromo-5-nitropyridin-4-amine;(4-fluorophenyl)boronic acid;2-(4-fluorophenyl)-5-nitropyridin-4-amine;N-[2-(4-fluorophenyl)-5-nitro-4-pyridinyl]pyrrolidine-1-carboxamide;methane;methanol;pyrrolidine.

Molecular Properties

Compound NameN-[5-amino-2-(4-fluorophenyl)-4-pyridinyl]pyrrolidine-1-carboxamide;2-bromo-5-nitropyridin-4-amine;(4-fluorophenyl)boronic acid;2-(4-fluorophenyl)-5-nitropyridin-4-amine;N-[2-(4-fluorophenyl)-5-nitro-4-pyridinyl]pyrrolidine-1-carboxamide;methane;methanol;pyrrolidine
PubChem CID160799822
Molecular FormulaC62H75BBrF4N15O11
Molecular Weight1373.08 g/mol
Exact Mass1371.50
IUPAC NameN-[5-amino-2-(4-fluorophenyl)-4-pyridinyl]pyrrolidine-1-carboxamide;2-bromo-5-nitropyridin-4-amine;(4-fluorophenyl)boronic acid;2-(4-fluorophenyl)-5-nitropyridin-4-amine;N-[2-(4-fluorophenyl)-5-nitro-4-pyridinyl]pyrrolidine-1-carboxamide;methane;methanol;pyrrolidine
SMILESC.C.C.C1CCNC1.CO.Nc1cc(-c2ccc(F)cc2)ncc1[N+](=O)[O-].Nc1cc(Br)ncc1[N+](=O)[O-].Nc1cnc(-c2ccc(F)cc2)cc1NC(=O)N1CCCC1.O=C(Nc1cc(-c2ccc(F)cc2)ncc1[N+](=O)[O-])N1CCCC1.OB(O)c1ccc(F)cc1
InChIInChI=1S/C16H15FN4O3.C16H17FN4O.C11H8FN3O2.C6H6BFO2.C5H4BrN3O2.C4H9N.CH4O.3CH4/c17-12-5-3-11(4-6-12)13-9-14(15(10-18-13)21(23)24)19-16(22)20-7-1-2-8-20;17-12-5-3-11(4-6-12)14-9-15(13(18)10-19-14)20-16(22)21-7-1-2-8-21;12-8-3-1-7(2-4-8)10-5-9(13)11(6-14-10)15(16)17;8-6-3-1-5(2-4-6)7(9)10;6-5-1-3(7)4(2-8-5)9(10)11;1-2-4-5-3-1;1-2;;;/h3-6,9-10H,1-2,7-8H2,(H,18,19,22);3-6,9-10H,1-2,7-8,18H2,(H,19,20,22);1-6H,(H2,13,14);1-4,9-10H;1-2H,(H2,7,8);5H,1-4H2;2H,1H3;3*1H4
InChIKeySCXRROOGLJZILE-UHFFFAOYSA-N
XLogP11.63
TPSA396.44 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds9
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001373.08
LogP ≤ 511.63
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[5-amino-2-(4-fluorophenyl)-4-pyridinyl]pyrrolidine-1-carboxamide;2-bromo-5-nitropyridin-4-amine;(4-fluorophenyl)boronic acid;2-(4-fluorophenyl)-5-nitropyridin-4-amine;N-[2-(4-fluorophenyl)-5-nitro-4-pyridinyl]pyrrolidine-1-carboxamide;methane;methanol;pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea;phenylboronic acid;bis(1-(5-phenyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea)
CID 158439819
1-(5-bromo-2-phenyl-3-pyridinyl)-3-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(2-methyl-6-phenyl-3-pyridinyl)urea;1-(2,5-diphenyl-3-pyridinyl)-3-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea;1-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-(2-methyl-6-phenyl-3-pyridinyl)urea
CID 157830790
N-[5-amino-2-(4-fluorophenyl)-4-pyridinyl]pyrrolidine-1-carboxamide;2-bromo-5-nitropyridin-4-amine;(4-fluorophenyl)boronic acid;2-(4-fluorophenyl)-5-nitropyridin-4-amine;N-[2-(4-fluorophenyl)-5-nitro-4-pyridinyl]pyrrolidine-1-carboxamide;methane;methanol;pyrrolidine
CID 160008823
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-[5-amino-2-(4-fluorophenyl)-4-pyridinyl]pyrrolidine-1-carboxamide;2-bromo-5-nitropyridin-4-amine;(4-fluorophenyl)boronic acid;2-(4-fluorophenyl)-5-nitropyridin-4-amine;N-[2-(4-fluorophenyl)-5-nitro-4-pyridinyl]pyrrolidine-1-carboxamide;methanol;pyrrolidine
CID 161321996

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-(4-fluorophenyl)-4-pyridinyl]pyrrolidine-1-carboxamide;2-bromo-5-nitropyridin-4-amine;(4-fluorophenyl)boronic acid;2-(4-fluorophenyl)-5-nitropyridin-4-amine;N-[2-(4-fluorophenyl)-5-nitro-4-pyridinyl]pyrrolidine-1-carboxamide;methane;methanol;pyrrolidine?
The IUPAC name of N-[5-amino-2-(4-fluorophenyl)-4-pyridinyl]pyrrolidine-1-carboxamide;2-bromo-5-nitropyridin-4-amine;(4-fluorophenyl)boronic acid;2-(4-fluorophenyl)-5-nitropyridin-4-amine;N-[2-(4-fluorophenyl)-5-nitro-4-pyridinyl]pyrrolidine-1-carboxamide;methane;methanol;pyrrolidine (CID 160799822) is N-[5-amino-2-(4-fluorophenyl)-4-pyridinyl]pyrrolidine-1-carboxamide;2-bromo-5-nitropyridin-4-amine;(4-fluorophenyl)boronic acid;2-(4-fluorophenyl)-5-nitropyridin-4-amine;N-[2-(4-fluorophenyl)-5-nitro-4-pyridinyl]pyrrolidine-1-carboxamide;methane;methanol;pyrrolidine.
What is the SMILES notation for N-[5-amino-2-(4-fluorophenyl)-4-pyridinyl]pyrrolidine-1-carboxamide;2-bromo-5-nitropyridin-4-amine;(4-fluorophenyl)boronic acid;2-(4-fluorophenyl)-5-nitropyridin-4-amine;N-[2-(4-fluorophenyl)-5-nitro-4-pyridinyl]pyrrolidine-1-carboxamide;methane;methanol;pyrrolidine?
The canonical SMILES for N-[5-amino-2-(4-fluorophenyl)-4-pyridinyl]pyrrolidine-1-carboxamide;2-bromo-5-nitropyridin-4-amine;(4-fluorophenyl)boronic acid;2-(4-fluorophenyl)-5-nitropyridin-4-amine;N-[2-(4-fluorophenyl)-5-nitro-4-pyridinyl]pyrrolidine-1-carboxamide;methane;methanol;pyrrolidine is C.C.C.C1CCNC1.CO.Nc1cc(-c2ccc(F)cc2)ncc1[N+](=O)[O-].Nc1cc(Br)ncc1[N+](=O)[O-].Nc1cnc(-c2ccc(F)cc2)cc1NC(=O)N1CCCC1.O=C(Nc1cc(-c2ccc(F)cc2)ncc1[N+](=O)[O-])N1CCCC1.OB(O)c1ccc(F)cc1.
What is the InChIKey of N-[5-amino-2-(4-fluorophenyl)-4-pyridinyl]pyrrolidine-1-carboxamide;2-bromo-5-nitropyridin-4-amine;(4-fluorophenyl)boronic acid;2-(4-fluorophenyl)-5-nitropyridin-4-amine;N-[2-(4-fluorophenyl)-5-nitro-4-pyridinyl]pyrrolidine-1-carboxamide;methane;methanol;pyrrolidine?
The InChIKey is SCXRROOGLJZILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3.C16H17FN4O.C11H8FN3O2.C6H6BFO2.C5H4BrN3O2.C4H9N.CH4O.3CH4/c17-12-5-3-11(4-6-12)13-9-14(15(10-18-13)21(23)24)19-16(22)20-7-1-2-8-20;17-12-5-3-11(4-6-12)14-9-15(13(18)10-19-14)20-16(22)21-7-1-2-8-21;12-8-3-1-7(2-4-8)10-5-9(13)11(6-14-10)15(16)17;8-6-3-1-5(2-4-6)7(9)10;6-5-1-3(7)4(2-8-5)9(10)11;1-2-4-5-3-1;1-2;;;/h3-6,9-10H,1-2,7-8H2,(H,18,19,22);3-6,9-10H,1-2,7-8,18H2,(H,19,20,22);1-6H,(H2,13,14);1-4,9-10H;1-2H,(H2,7,8);5H,1-4H2;2H,1H3;3*1H4.
What are the key properties of N-[5-amino-2-(4-fluorophenyl)-4-pyridinyl]pyrrolidine-1-carboxamide;2-bromo-5-nitropyridin-4-amine;(4-fluorophenyl)boronic acid;2-(4-fluorophenyl)-5-nitropyridin-4-amine;N-[2-(4-fluorophenyl)-5-nitro-4-pyridinyl]pyrrolidine-1-carboxamide;methane;methanol;pyrrolidine?
N-[5-amino-2-(4-fluorophenyl)-4-pyridinyl]pyrrolidine-1-carboxamide;2-bromo-5-nitropyridin-4-amine;(4-fluorophenyl)boronic acid;2-(4-fluorophenyl)-5-nitropyridin-4-amine;N-[2-(4-fluorophenyl)-5-nitro-4-pyridinyl]pyrrolidine-1-carboxamide;methane;methanol;pyrrolidine has a molecular weight of 1373.08 g/mol, XLogP of 11.63, 9 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-(4-fluorophenyl)-4-pyridinyl]pyrrolidine-1-carboxamide;2-bromo-5-nitropyridin-4-amine;(4-fluorophenyl)boronic acid;2-(4-fluorophenyl)-5-nitropyridin-4-amine;N-[2-(4-fluorophenyl)-5-nitro-4-pyridinyl]pyrrolidine-1-carboxamide;methane;methanol;pyrrolidine is sourced from PubChem (CID 160799822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).