6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(1,8-naphthyridin-3-ylamino)pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-cyano-3-fluoro-6-(1,8-naphthyridin-3-ylamino)-2-pyridinyl]amino]cyclohexyl]carbamate;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1,8-naphthyridin-3-amine

C87H102Cl3F4N25O7 — CID 159121918

About 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(1,8-naphthyridin-3-ylamino)pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-cyano-3-fluoro-6-(1,8-naphthyridin-3-ylamino)-2-pyridinyl]amino]cyclohexyl]carbamate;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1,8-naphthyridin-3-amine

6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(1,8-naphthyridin-3-ylamino)pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-cyano-3-fluoro-6-(1,8-naphthyridin-3-ylamino)-2-pyridinyl]amino]cyclohexyl]carbamate;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1,8-naphthyridin-3-amine (PubChem CID 159121918) has the molecular formula C87H102Cl3F4N25O7 and a molecular weight of 1792.29 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(1,8-naphthyridin-3-ylamino)pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-cyano-3-fluoro-6-(1,8-naphthyridin-3-ylamino)-2-pyridinyl]amino]cyclohexyl]carbamate;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1,8-naphthyridin-3-amine.

Molecular Properties

• Compound Name: 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(1,8-naphthyridin-3-ylamino)pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-cyano-3-fluoro-6-(1,8-naphthyridin-3-ylamino)-2-pyridinyl]amino]cyclohexyl]carbamate;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1,8-naphthyridin-3-amine
• PubChem CID: 159121918
• Molecular Formula: C87H102Cl3F4N25O7
• Molecular Weight: 1792.29 g/mol
• Exact Mass: 1789.74
• IUPAC Name: 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(1,8-naphthyridin-3-ylamino)pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-cyano-3-fluoro-6-(1,8-naphthyridin-3-ylamino)-2-pyridinyl]amino]cyclohexyl]carbamate;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1,8-naphthyridin-3-amine
• SMILES: CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N.CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Nc1nc(Cl)c(C#N)cc1F.CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Nc1nc(Nc2cnc3ncccc3c2)c(C#N)cc1F.N#Cc1cc(F)c(Cl)nc1Cl.NC(=O)c1cc(F)c(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cnc2ncccc2c1.Nc1cnc2ncccc2c1
• InChI: InChI=1S/C25H28FN7O2.C20H22FN7O.C17H22ClFN4O2.C11H22N2O2.C8H7N3.C6HCl2FN2/c1-25(2,3)35-24(34)32-20-9-5-4-8-19(20)31-23-18(26)12-16(13-27)22(33-23)30-17-11-15-7-6-10-28-21(15)29-14-17;21-14-9-13(17(23)29)19(28-20(14)27-16-6-2-1-5-15(16)22)26-12-8-11-4-3-7-24-18(11)25-10-12;1-17(2,3)25-16(24)22-13-7-5-4-6-12(13)21-15-11(19)8-10(9-20)14(18)23-15;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;9-7-4-6-2-1-3-10-8(6)11-5-7;7-5-3(2-10)1-4(9)6(8)11-5/h6-7,10-12,14,19-20H,4-5,8-9H2,1-3H3,(H,32,34)(H2,30,31,33);3-4,7-10,15-16H,1-2,5-6,22H2,(H2,23,29)(H2,26,27,28);8,12-13H,4-7H2,1-3H3,(H,21,23)(H,22,24);8-9H,4-7,12H2,1-3H3,(H,13,14);1-5H,9H2;1H/t19-,20+;15-,16+;12-,13+;8-,9+;;/m1011../s1
• InChIKey: KFULFOZBPVCBRR-CCBYMOMSSA-N
• XLogP: 17.10
• TPSA: 496.56 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 14
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1792.29
LogP ≤ 5	17.10
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(1,8-naphthyridin-3-ylamino)pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-cyano-3-fluoro-6-(1,8-naphthyridin-3-ylamino)-2-pyridinyl]amino]cyclohexyl]carbamate;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1,8-naphthyridin-3-amine?

The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(1,8-naphthyridin-3-ylamino)pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-cyano-3-fluoro-6-(1,8-naphthyridin-3-ylamino)-2-pyridinyl]amino]cyclohexyl]carbamate;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1,8-naphthyridin-3-amine (CID 159121918) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(1,8-naphthyridin-3-ylamino)pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-cyano-3-fluoro-6-(1,8-naphthyridin-3-ylamino)-2-pyridinyl]amino]cyclohexyl]carbamate;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1,8-naphthyridin-3-amine.

What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(1,8-naphthyridin-3-ylamino)pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-cyano-3-fluoro-6-(1,8-naphthyridin-3-ylamino)-2-pyridinyl]amino]cyclohexyl]carbamate;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1,8-naphthyridin-3-amine?

The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(1,8-naphthyridin-3-ylamino)pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-cyano-3-fluoro-6-(1,8-naphthyridin-3-ylamino)-2-pyridinyl]amino]cyclohexyl]carbamate;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1,8-naphthyridin-3-amine is CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N.CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Nc1nc(Cl)c(C#N)cc1F.CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Nc1nc(Nc2cnc3ncccc3c2)c(C#N)cc1F.N#Cc1cc(F)c(Cl)nc1Cl.NC(=O)c1cc(F)c(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cnc2ncccc2c1.Nc1cnc2ncccc2c1.

What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(1,8-naphthyridin-3-ylamino)pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-cyano-3-fluoro-6-(1,8-naphthyridin-3-ylamino)-2-pyridinyl]amino]cyclohexyl]carbamate;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1,8-naphthyridin-3-amine?

The InChIKey is KFULFOZBPVCBRR-CCBYMOMSSA-N. The full InChI is InChI=1S/C25H28FN7O2.C20H22FN7O.C17H22ClFN4O2.C11H22N2O2.C8H7N3.C6HCl2FN2/c1-25(2,3)35-24(34)32-20-9-5-4-8-19(20)31-23-18(26)12-16(13-27)22(33-23)30-17-11-15-7-6-10-28-21(15)29-14-17;21-14-9-13(17(23)29)19(28-20(14)27-16-6-2-1-5-15(16)22)26-12-8-11-4-3-7-24-18(11)25-10-12;1-17(2,3)25-16(24)22-13-7-5-4-6-12(13)21-15-11(19)8-10(9-20)14(18)23-15;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;9-7-4-6-2-1-3-10-8(6)11-5-7;7-5-3(2-10)1-4(9)6(8)11-5/h6-7,10-12,14,19-20H,4-5,8-9H2,1-3H3,(H,32,34)(H2,30,31,33);3-4,7-10,15-16H,1-2,5-6,22H2,(H2,23,29)(H2,26,27,28);8,12-13H,4-7H2,1-3H3,(H,21,23)(H,22,24);8-9H,4-7,12H2,1-3H3,(H,13,14);1-5H,9H2;1H/t19-,20+;15-,16+;12-,13+;8-,9+;;/m1011../s1.

What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(1,8-naphthyridin-3-ylamino)pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-cyano-3-fluoro-6-(1,8-naphthyridin-3-ylamino)-2-pyridinyl]amino]cyclohexyl]carbamate;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1,8-naphthyridin-3-amine?

6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(1,8-naphthyridin-3-ylamino)pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-cyano-3-fluoro-6-(1,8-naphthyridin-3-ylamino)-2-pyridinyl]amino]cyclohexyl]carbamate;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1,8-naphthyridin-3-amine has a molecular weight of 1792.29 g/mol, XLogP of 17.10, 14 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(1,8-naphthyridin-3-ylamino)pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-cyano-3-fluoro-6-(1,8-naphthyridin-3-ylamino)-2-pyridinyl]amino]cyclohexyl]carbamate;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1,8-naphthyridin-3-amine is sourced from PubChem (CID 159121918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).