5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxamide;5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylic acid;methyl 6-amino-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxylate;methyl 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylate

C77H58F4N20O7 — CID 160876448

IUPAC5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxamide;5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylic acid;methyl 6-amino-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxylate;methyl 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(F)c(N)nc1Nc1cnc2ccccc2c1.COC(=O)c1cc(F)c(Nc2cccnc2)nc1Nc1cnc2ccccc2c1.NC(=O)c1cc(F)c(Nc2cccnc2)nc1Nc1cnc2ccccc2c1.O=C(O)c1cc(F)c(Nc2cccnc2)nc1Nc1cnc2ccccc2c1
InChIInChI=1S/C21H16FN5O2.C20H15FN6O.C20H14FN5O2.C16H13FN4O2/c1-29-21(28)16-10-17(22)20(25-14-6-4-8-23-11-14)27-19(16)26-15-9-13-5-2-3-7-18(13)24-12-15;21-16-9-15(18(22)28)19(27-20(16)25-13-5-3-7-23-10-13)26-14-8-12-4-1-2-6-17(12)24-11-14;21-16-9-15(20(27)28)18(26-19(16)24-13-5-3-7-22-10-13)25-14-8-12-4-1-2-6-17(12)23-11-14;1-23-16(22)11-7-12(17)14(18)21-15(11)20-10-6-9-4-2-3-5-13(9)19-8-10/h2-12H,1H3,(H2,25,26,27);1-11H,(H2,22,28)(H2,25,26,27);1-11H,(H,27,28)(H2,24,25,26);2-8H,1H3,(H3,18,20,21)
InChIKeySMLOVPMKJMURND-UHFFFAOYSA-N
MW1451.44 g/mol
LogP15.42
Rot. Bonds18

About 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxamide;5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylic acid;methyl 6-amino-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxylate;methyl 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylate

5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxamide;5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylic acid;methyl 6-amino-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxylate;methyl 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylate (PubChem CID 160876448) has the molecular formula C77H58F4N20O7 and a molecular weight of 1451.44 g/mol. Its IUPAC name is 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxamide;5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylic acid;methyl 6-amino-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxylate;methyl 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Name5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxamide;5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylic acid;methyl 6-amino-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxylate;methyl 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylate
PubChem CID160876448
Molecular FormulaC77H58F4N20O7
Molecular Weight1451.44 g/mol
Exact Mass1450.47
IUPAC Name5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxamide;5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylic acid;methyl 6-amino-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxylate;methyl 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(F)c(N)nc1Nc1cnc2ccccc2c1.COC(=O)c1cc(F)c(Nc2cccnc2)nc1Nc1cnc2ccccc2c1.NC(=O)c1cc(F)c(Nc2cccnc2)nc1Nc1cnc2ccccc2c1.O=C(O)c1cc(F)c(Nc2cccnc2)nc1Nc1cnc2ccccc2c1
InChIInChI=1S/C21H16FN5O2.C20H15FN6O.C20H14FN5O2.C16H13FN4O2/c1-29-21(28)16-10-17(22)20(25-14-6-4-8-23-11-14)27-19(16)26-15-9-13-5-2-3-7-18(13)24-12-15;21-16-9-15(18(22)28)19(27-20(16)25-13-5-3-7-23-10-13)26-14-8-12-4-1-2-6-17(12)24-11-14;21-16-9-15(20(27)28)18(26-19(16)24-13-5-3-7-22-10-13)25-14-8-12-4-1-2-6-17(12)23-11-14;1-23-16(22)11-7-12(17)14(18)21-15(11)20-10-6-9-4-2-3-5-13(9)19-8-10/h2-12H,1H3,(H2,25,26,27);1-11H,(H2,22,28)(H2,25,26,27);1-11H,(H,27,28)(H2,24,25,26);2-8H,1H3,(H3,18,20,21)
InChIKeySMLOVPMKJMURND-UHFFFAOYSA-N
XLogP15.42
TPSA385.01 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001451.44
LogP ≤ 515.42
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxamide;5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylic acid;methyl 6-amino-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxylate;methyl 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Copper, tetrakis(mu-(2-((3-trifluoromethyl)phenyl)amino)-3-pyridinecarboxylate-O:O')di-, (cu-Cu)-
CID 85470839
6-[[(1R,2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxylic acid
CID 89536922
6-[[(1R,2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]-5-fluoro-4-methyl-2-(quinolin-3-ylamino)pyridine-3-carboxylic acid
CID 89537264
Methyl 6-amino-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxylate
CID 89537509
Methyl 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylate
CID 89538429
methyl 6-[[(1R,2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxylate
CID 89538857
6-[[2-[Bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]-5-fluoro-4-methyl-2-(quinolin-3-ylamino)pyridine-3-carboxylic acid
CID 89538859
6-[[2-[Bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxylic acid
CID 89538894
Methyl 6-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxylate
CID 89546858
Methyl 6-(benzylamino)-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxylate
CID 89546859
5-Fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylic acid
CID 89552334
methyl 5-fluoro-6-[[(1R,2S)-2-methylcyclohexyl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxylate
CID 89553402

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxamide;5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylic acid;methyl 6-amino-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxylate;methyl 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylate?
The IUPAC name of 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxamide;5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylic acid;methyl 6-amino-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxylate;methyl 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylate (CID 160876448) is 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxamide;5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylic acid;methyl 6-amino-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxylate;methyl 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylate.
What is the SMILES notation for 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxamide;5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylic acid;methyl 6-amino-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxylate;methyl 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylate?
The canonical SMILES for 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxamide;5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylic acid;methyl 6-amino-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxylate;methyl 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylate is COC(=O)c1cc(F)c(N)nc1Nc1cnc2ccccc2c1.COC(=O)c1cc(F)c(Nc2cccnc2)nc1Nc1cnc2ccccc2c1.NC(=O)c1cc(F)c(Nc2cccnc2)nc1Nc1cnc2ccccc2c1.O=C(O)c1cc(F)c(Nc2cccnc2)nc1Nc1cnc2ccccc2c1.
What is the InChIKey of 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxamide;5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylic acid;methyl 6-amino-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxylate;methyl 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylate?
The InChIKey is SMLOVPMKJMURND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2.C20H15FN6O.C20H14FN5O2.C16H13FN4O2/c1-29-21(28)16-10-17(22)20(25-14-6-4-8-23-11-14)27-19(16)26-15-9-13-5-2-3-7-18(13)24-12-15;21-16-9-15(18(22)28)19(27-20(16)25-13-5-3-7-23-10-13)26-14-8-12-4-1-2-6-17(12)24-11-14;21-16-9-15(20(27)28)18(26-19(16)24-13-5-3-7-22-10-13)25-14-8-12-4-1-2-6-17(12)23-11-14;1-23-16(22)11-7-12(17)14(18)21-15(11)20-10-6-9-4-2-3-5-13(9)19-8-10/h2-12H,1H3,(H2,25,26,27);1-11H,(H2,22,28)(H2,25,26,27);1-11H,(H,27,28)(H2,24,25,26);2-8H,1H3,(H3,18,20,21).
What are the key properties of 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxamide;5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylic acid;methyl 6-amino-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxylate;methyl 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylate?
5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxamide;5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylic acid;methyl 6-amino-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxylate;methyl 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylate has a molecular weight of 1451.44 g/mol, XLogP of 15.42, 18 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxamide;5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylic acid;methyl 6-amino-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxylate;methyl 5-fluoro-6-(pyridin-3-ylamino)-2-(quinolin-3-ylamino)pyridine-3-carboxylate is sourced from PubChem (CID 160876448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).