6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;6-bromopyridine-3-carboxylic acid;5-fluoropyridin-2-amine;tetrahydrochloride

C58H52Br2Cl4F4N14O4 — CID 161100416

IUPAC6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;6-bromopyridine-3-carboxylic acid;5-fluoropyridin-2-amine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.Fc1ccc(NCc2ccc(NCc3ccccc3)nc2)nc1.Nc1ccc(F)cn1.O=C(Nc1ccc(F)cn1)c1ccc(Br)nc1.O=C(Nc1ccc(F)cn1)c1ccc(NCc2ccccc2)nc1.O=C(O)c1ccc(Br)nc1
InChIInChI=1S/C18H15FN4O.C18H17FN4.C11H7BrFN3O.C6H4BrNO2.C5H5FN2.4ClH/c19-15-7-9-17(22-12-15)23-18(24)14-6-8-16(21-11-14)20-10-13-4-2-1-3-5-13;19-16-7-9-18(23-13-16)22-12-15-6-8-17(21-11-15)20-10-14-4-2-1-3-5-14;12-9-3-1-7(5-14-9)11(17)16-10-4-2-8(13)6-15-10;7-5-2-1-4(3-8-5)6(9)10;6-4-1-2-5(7)8-3-4;;;;/h1-9,11-12H,10H2,(H,20,21)(H,22,23,24);1-9,11,13H,10,12H2,(H,20,21)(H,22,23);1-6H,(H,15,16,17);1-3H,(H,9,10);1-3H,(H2,7,8);4*1H
InChIKeyVVLNMYIQHFPRMZ-UHFFFAOYSA-N
MW1386.76 g/mol
LogP13.98
Rot. Bonds14

About 6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;6-bromopyridine-3-carboxylic acid;5-fluoropyridin-2-amine;tetrahydrochloride

6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;6-bromopyridine-3-carboxylic acid;5-fluoropyridin-2-amine;tetrahydrochloride (PubChem CID 161100416) has the molecular formula C58H52Br2Cl4F4N14O4 and a molecular weight of 1386.76 g/mol. Its IUPAC name is 6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;6-bromopyridine-3-carboxylic acid;5-fluoropyridin-2-amine;tetrahydrochloride.

Molecular Properties

Compound Name6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;6-bromopyridine-3-carboxylic acid;5-fluoropyridin-2-amine;tetrahydrochloride
PubChem CID161100416
Molecular FormulaC58H52Br2Cl4F4N14O4
Molecular Weight1386.76 g/mol
Exact Mass1382.14
IUPAC Name6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;6-bromopyridine-3-carboxylic acid;5-fluoropyridin-2-amine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.Fc1ccc(NCc2ccc(NCc3ccccc3)nc2)nc1.Nc1ccc(F)cn1.O=C(Nc1ccc(F)cn1)c1ccc(Br)nc1.O=C(Nc1ccc(F)cn1)c1ccc(NCc2ccccc2)nc1.O=C(O)c1ccc(Br)nc1
InChIInChI=1S/C18H15FN4O.C18H17FN4.C11H7BrFN3O.C6H4BrNO2.C5H5FN2.4ClH/c19-15-7-9-17(22-12-15)23-18(24)14-6-8-16(21-11-14)20-10-13-4-2-1-3-5-13;19-16-7-9-18(23-13-16)22-12-15-6-8-17(21-11-15)20-10-14-4-2-1-3-5-14;12-9-3-1-7(5-14-9)11(17)16-10-4-2-8(13)6-15-10;7-5-2-1-4(3-8-5)6(9)10;6-4-1-2-5(7)8-3-4;;;;/h1-9,11-12H,10H2,(H,20,21)(H,22,23,24);1-9,11,13H,10,12H2,(H,20,21)(H,22,23);1-6H,(H,15,16,17);1-3H,(H,9,10);1-3H,(H2,7,8);4*1H
InChIKeyVVLNMYIQHFPRMZ-UHFFFAOYSA-N
XLogP13.98
TPSA260.73 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001386.76
LogP ≤ 513.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;6-bromopyridine-3-carboxylic acid;5-fluoropyridin-2-amine;tetrahydrochloride 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

Copper, tetrakis(mu-(2-((3-trifluoromethyl)phenyl)amino)-3-pyridinecarboxylate-O:O')di-, (cu-Cu)-
CID 85470839
4-Pyridin-4-ylpyridine;bis(2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid)
CID 139147798
3-bromo-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-ethyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;N-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide;1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propan-1-one;2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 158290343
6-amino-4-methyl-1H-quinolin-2-one;tris(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;3-fluoropyrrolidine;2-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;dihydrochloride
CID 158646428
2-Aminopyridine-3-carboxylic acid;2-(1-bromoethyl)-3-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one;2-ethyl-3-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one;2-ethylpyrido[2,3-d][1,3]oxazin-4-one;3-(4-fluorophenyl)-2-[1-(methylamino)ethyl]pyrido[2,3-d]pyrimidin-4-one;1-[1-[3-(4-fluorophenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
CID 160981598
2-(2,6-Difluoroanilino)pyridine-3-carboxylate;tris(2-(2,6-difluoroanilino)pyridine-3-carboxylic acid);2-(2,6-difluoroanilino)pyridin-1-ium-3-carboxylic acid
CID 139144737
Copper;tetrakis(2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid)
CID 91866332
1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carboxylic acid;[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-(4-methylpiperazin-1-yl)methanone
CID 68861405
N-[[6-(aminomethyl)-2-pyridinyl]methyl]-2-[2-(3-fluorophenyl)ethylamino]-5-pyridin-2-ylpyridine-3-carboxamide;6-[(5-amino-5-oxopentyl)amino]-2-[2-(3-fluorophenyl)ethylamino]-4-methylpyridine-3-carboxylic acid
CID 69248483
4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide;4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxylic acid;methane
CID 144625201
5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid;tert-butyl 4-[3-bromo-5-[(3,4-difluorophenyl)methyl-ethylcarbamoyl]-2-pyridinyl]piperazine-1-carboxylate;N-[(3,4-difluorophenyl)methyl]ethanamine
CID 157059584
6-(benzylamino)-N-[6-(benzylamino)-2-pyridinyl]pyridine-3-carboxamide;6-N-[[6-(benzylamino)-3-pyridinyl]methyl]pyridine-2,6-diamine;6-bromo-N-(6-bromo-2-pyridinyl)pyridine-3-carboxamide;6-bromopyridin-2-amine;6-bromopyridine-3-carboxylic acid;methane
CID 157451491

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;6-bromopyridine-3-carboxylic acid;5-fluoropyridin-2-amine;tetrahydrochloride?
The IUPAC name of 6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;6-bromopyridine-3-carboxylic acid;5-fluoropyridin-2-amine;tetrahydrochloride (CID 161100416) is 6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;6-bromopyridine-3-carboxylic acid;5-fluoropyridin-2-amine;tetrahydrochloride.
What is the SMILES notation for 6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;6-bromopyridine-3-carboxylic acid;5-fluoropyridin-2-amine;tetrahydrochloride?
The canonical SMILES for 6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;6-bromopyridine-3-carboxylic acid;5-fluoropyridin-2-amine;tetrahydrochloride is Cl.Cl.Cl.Cl.Fc1ccc(NCc2ccc(NCc3ccccc3)nc2)nc1.Nc1ccc(F)cn1.O=C(Nc1ccc(F)cn1)c1ccc(Br)nc1.O=C(Nc1ccc(F)cn1)c1ccc(NCc2ccccc2)nc1.O=C(O)c1ccc(Br)nc1.
What is the InChIKey of 6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;6-bromopyridine-3-carboxylic acid;5-fluoropyridin-2-amine;tetrahydrochloride?
The InChIKey is VVLNMYIQHFPRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O.C18H17FN4.C11H7BrFN3O.C6H4BrNO2.C5H5FN2.4ClH/c19-15-7-9-17(22-12-15)23-18(24)14-6-8-16(21-11-14)20-10-13-4-2-1-3-5-13;19-16-7-9-18(23-13-16)22-12-15-6-8-17(21-11-15)20-10-14-4-2-1-3-5-14;12-9-3-1-7(5-14-9)11(17)16-10-4-2-8(13)6-15-10;7-5-2-1-4(3-8-5)6(9)10;6-4-1-2-5(7)8-3-4;;;;/h1-9,11-12H,10H2,(H,20,21)(H,22,23,24);1-9,11,13H,10,12H2,(H,20,21)(H,22,23);1-6H,(H,15,16,17);1-3H,(H,9,10);1-3H,(H2,7,8);4*1H.
What are the key properties of 6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;6-bromopyridine-3-carboxylic acid;5-fluoropyridin-2-amine;tetrahydrochloride?
6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;6-bromopyridine-3-carboxylic acid;5-fluoropyridin-2-amine;tetrahydrochloride has a molecular weight of 1386.76 g/mol, XLogP of 13.98, 14 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;N-benzyl-5-[[(5-fluoro-2-pyridinyl)amino]methyl]pyridin-2-amine;6-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide;6-bromopyridine-3-carboxylic acid;5-fluoropyridin-2-amine;tetrahydrochloride is sourced from PubChem (CID 161100416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).