6-bromo-N-(2,2-difluoro-2-pyridin-2-ylethyl)pyridin-2-amine;tert-butyl 7-(2-aminoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyridine-2,6-diamine;methane

C77H93BrF6N18O4 — CID 160716584

IUPAC6-bromo-N-(2,2-difluoro-2-pyridin-2-ylethyl)pyridin-2-amine;tert-butyl 7-(2-aminoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyridine-2,6-diamine;methane
SMILESC.CC(C)(C)OC(=O)N1CCCc2ccc(CCN)nc21.CC(C)(C)OC(=O)N1CCCc2ccc(CCNc3cccc(NCC(F)(F)c4ccccn4)n3)nc21.FC(F)(CNc1cccc(Br)n1)c1ccccn1.FC(F)(CNc1cccc(NCCc2ccc3c(n2)NCCC3)n1)c1ccccn1
InChIInChI=1S/C27H32F2N6O2.C22H24F2N6.C15H23N3O2.C12H10BrF2N3.CH4/c1-26(2,3)37-25(36)35-17-7-8-19-12-13-20(33-24(19)35)14-16-31-22-10-6-11-23(34-22)32-18-27(28,29)21-9-4-5-15-30-21;23-22(24,18-6-1-2-12-25-18)15-28-20-8-3-7-19(30-20)26-14-11-17-10-9-16-5-4-13-27-21(16)29-17;1-15(2,3)20-14(19)18-10-4-5-11-6-7-12(8-9-16)17-13(11)18;13-10-5-3-6-11(18-10)17-8-12(14,15)9-4-1-2-7-16-9;/h4-6,9-13,15H,7-8,14,16-18H2,1-3H3,(H2,31,32,34);1-3,6-10,12H,4-5,11,13-15H2,(H,27,29)(H2,26,28,30);6-7H,4-5,8-10,16H2,1-3H3;1-7H,8H2,(H,17,18);1H4
InChIKeyRSNXDDUQWOOTBO-UHFFFAOYSA-N
MW1528.60 g/mol
LogP15.86
Rot. Bonds22

About 6-bromo-N-(2,2-difluoro-2-pyridin-2-ylethyl)pyridin-2-amine;tert-butyl 7-(2-aminoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyridine-2,6-diamine;methane

6-bromo-N-(2,2-difluoro-2-pyridin-2-ylethyl)pyridin-2-amine;tert-butyl 7-(2-aminoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyridine-2,6-diamine;methane (PubChem CID 160716584) has the molecular formula C77H93BrF6N18O4 and a molecular weight of 1528.60 g/mol. Its IUPAC name is 6-bromo-N-(2,2-difluoro-2-pyridin-2-ylethyl)pyridin-2-amine;tert-butyl 7-(2-aminoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyridine-2,6-diamine;methane.

Molecular Properties

Compound Name6-bromo-N-(2,2-difluoro-2-pyridin-2-ylethyl)pyridin-2-amine;tert-butyl 7-(2-aminoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyridine-2,6-diamine;methane
PubChem CID160716584
Molecular FormulaC77H93BrF6N18O4
Molecular Weight1528.60 g/mol
Exact Mass1526.67
IUPAC Name6-bromo-N-(2,2-difluoro-2-pyridin-2-ylethyl)pyridin-2-amine;tert-butyl 7-(2-aminoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyridine-2,6-diamine;methane
SMILESC.CC(C)(C)OC(=O)N1CCCc2ccc(CCN)nc21.CC(C)(C)OC(=O)N1CCCc2ccc(CCNc3cccc(NCC(F)(F)c4ccccn4)n3)nc21.FC(F)(CNc1cccc(Br)n1)c1ccccn1.FC(F)(CNc1cccc(NCCc2ccc3c(n2)NCCC3)n1)c1ccccn1
InChIInChI=1S/C27H32F2N6O2.C22H24F2N6.C15H23N3O2.C12H10BrF2N3.CH4/c1-26(2,3)37-25(36)35-17-7-8-19-12-13-20(33-24(19)35)14-16-31-22-10-6-11-23(34-22)32-18-27(28,29)21-9-4-5-15-30-21;23-22(24,18-6-1-2-12-25-18)15-28-20-8-3-7-19(30-20)26-14-11-17-10-9-16-5-4-13-27-21(16)29-17;1-15(2,3)20-14(19)18-10-4-5-11-6-7-12(8-9-16)17-13(11)18;13-10-5-3-6-11(18-10)17-8-12(14,15)9-4-1-2-7-16-9;/h4-6,9-13,15H,7-8,14,16-18H2,1-3H3,(H2,31,32,34);1-3,6-10,12H,4-5,11,13-15H2,(H,27,29)(H2,26,28,30);6-7H,4-5,8-10,16H2,1-3H3;1-7H,8H2,(H,17,18);1H4
InChIKeyRSNXDDUQWOOTBO-UHFFFAOYSA-N
XLogP15.86
TPSA273.29 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001528.60
LogP ≤ 515.86
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 6-bromo-N-(2,2-difluoro-2-pyridin-2-ylethyl)pyridin-2-amine;tert-butyl 7-(2-aminoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyridine-2,6-diamine;methane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]piperidin-3-yl]carbamate
CID 119098905
Tert-butyl 4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 119098907
tert-butyl 7-[2-[[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 58230648
tert-butyl 7-[2-[[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]-1,1-difluoroethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 58230698
tert-butyl 7-[1,1-difluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 58230706
Tert-butyl 4-[4-[3-[(5-fluoro-2-pyridinyl)amino]isoquinolin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 67128128
Tert-butyl 4-[4-[6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]pyridin-2-yl]piperazine-1-carboxylate
CID 67128169
Tert-butyl 4-[4-[4-amino-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]pyridin-2-yl]piperazine-1-carboxylate
CID 141617653
1-[[5-[[1-[3-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]methyl]-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-3-isoquinolin-3-ylurea
CID 144516130
tert-butyl N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine
CID 157602368
Tert-butyl 4-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-(5-iodo-2-pyridinyl)piperazine-1-carboxylate;1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperazine
CID 157949538
4,4-difluoro-N-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide;4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1,8-naphthyridine
CID 158022492

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,2-difluoro-2-pyridin-2-ylethyl)pyridin-2-amine;tert-butyl 7-(2-aminoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyridine-2,6-diamine;methane?
The IUPAC name of 6-bromo-N-(2,2-difluoro-2-pyridin-2-ylethyl)pyridin-2-amine;tert-butyl 7-(2-aminoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyridine-2,6-diamine;methane (CID 160716584) is 6-bromo-N-(2,2-difluoro-2-pyridin-2-ylethyl)pyridin-2-amine;tert-butyl 7-(2-aminoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyridine-2,6-diamine;methane.
What is the SMILES notation for 6-bromo-N-(2,2-difluoro-2-pyridin-2-ylethyl)pyridin-2-amine;tert-butyl 7-(2-aminoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyridine-2,6-diamine;methane?
The canonical SMILES for 6-bromo-N-(2,2-difluoro-2-pyridin-2-ylethyl)pyridin-2-amine;tert-butyl 7-(2-aminoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyridine-2,6-diamine;methane is C.CC(C)(C)OC(=O)N1CCCc2ccc(CCN)nc21.CC(C)(C)OC(=O)N1CCCc2ccc(CCNc3cccc(NCC(F)(F)c4ccccn4)n3)nc21.FC(F)(CNc1cccc(Br)n1)c1ccccn1.FC(F)(CNc1cccc(NCCc2ccc3c(n2)NCCC3)n1)c1ccccn1.
What is the InChIKey of 6-bromo-N-(2,2-difluoro-2-pyridin-2-ylethyl)pyridin-2-amine;tert-butyl 7-(2-aminoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyridine-2,6-diamine;methane?
The InChIKey is RSNXDDUQWOOTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2N6O2.C22H24F2N6.C15H23N3O2.C12H10BrF2N3.CH4/c1-26(2,3)37-25(36)35-17-7-8-19-12-13-20(33-24(19)35)14-16-31-22-10-6-11-23(34-22)32-18-27(28,29)21-9-4-5-15-30-21;23-22(24,18-6-1-2-12-25-18)15-28-20-8-3-7-19(30-20)26-14-11-17-10-9-16-5-4-13-27-21(16)29-17;1-15(2,3)20-14(19)18-10-4-5-11-6-7-12(8-9-16)17-13(11)18;13-10-5-3-6-11(18-10)17-8-12(14,15)9-4-1-2-7-16-9;/h4-6,9-13,15H,7-8,14,16-18H2,1-3H3,(H2,31,32,34);1-3,6-10,12H,4-5,11,13-15H2,(H,27,29)(H2,26,28,30);6-7H,4-5,8-10,16H2,1-3H3;1-7H,8H2,(H,17,18);1H4.
What are the key properties of 6-bromo-N-(2,2-difluoro-2-pyridin-2-ylethyl)pyridin-2-amine;tert-butyl 7-(2-aminoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyridine-2,6-diamine;methane?
6-bromo-N-(2,2-difluoro-2-pyridin-2-ylethyl)pyridin-2-amine;tert-butyl 7-(2-aminoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyridine-2,6-diamine;methane has a molecular weight of 1528.60 g/mol, XLogP of 15.86, 22 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,2-difluoro-2-pyridin-2-ylethyl)pyridin-2-amine;tert-butyl 7-(2-aminoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[[6-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyridine-2,6-diamine;methane is sourced from PubChem (CID 160716584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).