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

C66H62Br4N16O4 — CID 157451491

IUPAC6-(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
SMILESC.Nc1cccc(Br)n1.Nc1cccc(NCc2ccc(NCc3ccccc3)nc2)n1.O=C(Nc1cccc(Br)n1)c1ccc(Br)nc1.O=C(Nc1cccc(NCc2ccccc2)n1)c1ccc(NCc2ccccc2)nc1.O=C(O)c1ccc(Br)nc1
InChIInChI=1S/C25H23N5O.C18H19N5.C11H7Br2N3O.C6H4BrNO2.C5H5BrN2.CH4/c31-25(21-14-15-22(28-18-21)26-16-19-8-3-1-4-9-19)30-24-13-7-12-23(29-24)27-17-20-10-5-2-6-11-20;19-16-7-4-8-18(23-16)22-13-15-9-10-17(21-12-15)20-11-14-5-2-1-3-6-14;12-8-5-4-7(6-14-8)11(17)16-10-3-1-2-9(13)15-10;7-5-2-1-4(3-8-5)6(9)10;6-4-2-1-3-5(7)8-4;/h1-15,18H,16-17H2,(H,26,28)(H2,27,29,30,31);1-10,12H,11,13H2,(H,20,21)(H3,19,22,23);1-6H,(H,15,16,17);1-3H,(H,9,10);1-3H,(H2,7,8);1H4
InChIKeyBSVVUKUEJXPWIH-UHFFFAOYSA-N
MW1462.95 g/mol
LogP15.09
Rot. Bonds17

About 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

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 (PubChem CID 157451491) has the molecular formula C66H62Br4N16O4 and a molecular weight of 1462.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID157451491
Molecular FormulaC66H62Br4N16O4
Molecular Weight1462.95 g/mol
Exact Mass1458.19
IUPAC Name6-(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
SMILESC.Nc1cccc(Br)n1.Nc1cccc(NCc2ccc(NCc3ccccc3)nc2)n1.O=C(Nc1cccc(Br)n1)c1ccc(Br)nc1.O=C(Nc1cccc(NCc2ccccc2)n1)c1ccc(NCc2ccccc2)nc1.O=C(O)c1ccc(Br)nc1
InChIInChI=1S/C25H23N5O.C18H19N5.C11H7Br2N3O.C6H4BrNO2.C5H5BrN2.CH4/c31-25(21-14-15-22(28-18-21)26-16-19-8-3-1-4-9-19)30-24-13-7-12-23(29-24)27-17-20-10-5-2-6-11-20;19-16-7-4-8-18(23-16)22-13-15-9-10-17(21-12-15)20-11-14-5-2-1-3-6-14;12-8-5-4-7(6-14-8)11(17)16-10-3-1-2-9(13)15-10;7-5-2-1-4(3-8-5)6(9)10;6-4-2-1-3-5(7)8-4;/h1-15,18H,16-17H2,(H,26,28)(H2,27,29,30,31);1-10,12H,11,13H2,(H,20,21)(H3,19,22,23);1-6H,(H,15,16,17);1-3H,(H,9,10);1-3H,(H2,7,8);1H4
InChIKeyBSVVUKUEJXPWIH-UHFFFAOYSA-N
XLogP15.09
TPSA298.78 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001462.95
LogP ≤ 515.09
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
CID 139145275
CID 139145275
2-(N-methylanilino)pyridine-3-carboxylic acid
CID 139145304
CID 139147013
CID 139147013
6-(6-Bromonicotinamido)nicotinic acid
CID 59408766
Tetrakis(2-(methylamino)pyridine-3-carboxylic acid);hydrate;dihydrochloride
CID 67807384
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-Bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)methanone;(6-bromo-3-pyridinyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-(trideuteriomethyl)piperazin-1-yl]methanone;tert-butyl 4-(6-bromopyridine-3-carbonyl)-2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate;tert-butyl 2,2,3,3,5,5,6,6-octadeuteriopiperidine-1-carboxylate;hydrochloride
CID 157105647
5-bromopyridin-2-amine;6-[(6-bromopyridine-3-carbonyl)amino]-N-(5-bromo-2-pyridinyl)pyridine-3-carboxamide;6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylic acid;6-bromopyridine-3-carboxylic acid;2-chloro-1-methylpyridin-1-ium;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylate;6-(propylamino)-N-[5-[[5-(propylamino)-2-pyridinyl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide;5-N-propyl-2-N-[[6-[[6-(propylamino)-3-pyridinyl]methylamino]-3-pyridinyl]methyl]pyridine-2,5-diamine
CID 157130576

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.Nc1cccc(Br)n1.Nc1cccc(NCc2ccc(NCc3ccccc3)nc2)n1.O=C(Nc1cccc(Br)n1)c1ccc(Br)nc1.O=C(Nc1cccc(NCc2ccccc2)n1)c1ccc(NCc2ccccc2)nc1.O=C(O)c1ccc(Br)nc1.
What is the InChIKey of 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?
The InChIKey is BSVVUKUEJXPWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O.C18H19N5.C11H7Br2N3O.C6H4BrNO2.C5H5BrN2.CH4/c31-25(21-14-15-22(28-18-21)26-16-19-8-3-1-4-9-19)30-24-13-7-12-23(29-24)27-17-20-10-5-2-6-11-20;19-16-7-4-8-18(23-16)22-13-15-9-10-17(21-12-15)20-11-14-5-2-1-3-6-14;12-8-5-4-7(6-14-8)11(17)16-10-3-1-2-9(13)15-10;7-5-2-1-4(3-8-5)6(9)10;6-4-2-1-3-5(7)8-4;/h1-15,18H,16-17H2,(H,26,28)(H2,27,29,30,31);1-10,12H,11,13H2,(H,20,21)(H3,19,22,23);1-6H,(H,15,16,17);1-3H,(H,9,10);1-3H,(H2,7,8);1H4.
What are the key properties of 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?
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 has a molecular weight of 1462.95 g/mol, XLogP of 15.09, 17 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157451491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).