3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-[2-(dimethylamino)-2-oxoethyl]-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)-1,7-naphthyridine-3-carboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,6-N,8-trimethyl-1,7-naphthyridine-3,6-dicarboxamide

C114H118N26O18 — CID 173151011

About 3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-[2-(dimethylamino)-2-oxoethyl]-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)-1,7-naphthyridine-3-carboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,6-N,8-trimethyl-1,7-naphthyridine-3,6-dicarboxamide

3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-[2-(dimethylamino)-2-oxoethyl]-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)-1,7-naphthyridine-3-carboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,6-N,8-trimethyl-1,7-naphthyridine-3,6-dicarboxamide (PubChem CID 173151011) has the molecular formula C114H118N26O18 and a molecular weight of 2140.36 g/mol. Its IUPAC name is 3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-[2-(dimethylamino)-2-oxoethyl]-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)-1,7-naphthyridine-3-carboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,6-N,8-trimethyl-1,7-naphthyridine-3,6-dicarboxamide.

Molecular Properties

• Compound Name: 3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-[2-(dimethylamino)-2-oxoethyl]-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)-1,7-naphthyridine-3-carboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,6-N,8-trimethyl-1,7-naphthyridine-3,6-dicarboxamide
• PubChem CID: 173151011
• Molecular Formula: C114H118N26O18
• Molecular Weight: 2140.36 g/mol
• Exact Mass: 2138.91
• IUPAC Name: 3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-[2-(dimethylamino)-2-oxoethyl]-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)-1,7-naphthyridine-3-carboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,6-N,8-trimethyl-1,7-naphthyridine-3,6-dicarboxamide
• SMILES: COCCN(C)C(=O)c1cc2c(Nc3cccc4c3CCO4)c(C(N)=O)cnc2c(C)n1.Cc1nc(C(=O)N(C)C)cc2c(Nc3cccc4c3CCO4)c(C(N)=O)cnc12.Cc1nc(C(=O)N2CCOCC2)cc2c(Nc3cccc4c3CCO4)c(C(N)=O)cnc12.Cc1nc(C(=O)NCC(=O)N(C)C)cc2c(Nc3cccc4c3CCO4)c(C(N)=O)cnc12.Cc1nc(C(N)=O)cc2c(Nc3cccc4c3CCO4)c(C(=O)NC3CCCC3)cnc12
• InChI: InChI=1S/C24H25N5O3.C23H24N6O4.C23H23N5O4.C23H25N5O4.C21H21N5O3/c1-13-21-16(11-19(27-13)23(25)30)22(29-18-7-4-8-20-15(18)9-10-32-20)17(12-26-21)24(31)28-14-5-2-3-6-14;1-12-20-14(9-17(27-12)23(32)26-11-19(30)29(2)3)21(15(10-25-20)22(24)31)28-16-5-4-6-18-13(16)7-8-33-18;1-13-20-15(11-18(26-13)23(30)28-6-9-31-10-7-28)21(16(12-25-20)22(24)29)27-17-3-2-4-19-14(17)5-8-32-19;1-13-20-15(11-18(26-13)23(30)28(2)8-10-31-3)21(16(12-25-20)22(24)29)27-17-5-4-6-19-14(17)7-9-32-19;1-11-18-13(9-16(24-11)21(28)26(2)3)19(14(10-23-18)20(22)27)25-15-5-4-6-17-12(15)7-8-29-17/h4,7-8,11-12,14H,2-3,5-6,9-10H2,1H3,(H2,25,30)(H,26,29)(H,28,31);4-6,9-10H,7-8,11H2,1-3H3,(H2,24,31)(H,25,28)(H,26,32);2-4,11-12H,5-10H2,1H3,(H2,24,29)(H,25,27);4-6,11-12H,7-10H2,1-3H3,(H2,24,29)(H,25,27);4-6,9-10H,7-8H2,1-3H3,(H2,22,27)(H,23,25)
• InChIKey: HHINAZSYPQRVBL-UHFFFAOYSA-N
• XLogP: 11.96
• TPSA: 608.55 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 26
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2140.36
LogP ≤ 5	11.96
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-[2-(dimethylamino)-2-oxoethyl]-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)-1,7-naphthyridine-3-carboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,6-N,8-trimethyl-1,7-naphthyridine-3,6-dicarboxamide?

The IUPAC name of 3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-[2-(dimethylamino)-2-oxoethyl]-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)-1,7-naphthyridine-3-carboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,6-N,8-trimethyl-1,7-naphthyridine-3,6-dicarboxamide (CID 173151011) is 3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-[2-(dimethylamino)-2-oxoethyl]-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)-1,7-naphthyridine-3-carboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,6-N,8-trimethyl-1,7-naphthyridine-3,6-dicarboxamide.

What is the SMILES notation for 3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-[2-(dimethylamino)-2-oxoethyl]-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)-1,7-naphthyridine-3-carboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,6-N,8-trimethyl-1,7-naphthyridine-3,6-dicarboxamide?

The canonical SMILES for 3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-[2-(dimethylamino)-2-oxoethyl]-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)-1,7-naphthyridine-3-carboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,6-N,8-trimethyl-1,7-naphthyridine-3,6-dicarboxamide is COCCN(C)C(=O)c1cc2c(Nc3cccc4c3CCO4)c(C(N)=O)cnc2c(C)n1.Cc1nc(C(=O)N(C)C)cc2c(Nc3cccc4c3CCO4)c(C(N)=O)cnc12.Cc1nc(C(=O)N2CCOCC2)cc2c(Nc3cccc4c3CCO4)c(C(N)=O)cnc12.Cc1nc(C(=O)NCC(=O)N(C)C)cc2c(Nc3cccc4c3CCO4)c(C(N)=O)cnc12.Cc1nc(C(N)=O)cc2c(Nc3cccc4c3CCO4)c(C(=O)NC3CCCC3)cnc12.

What is the InChIKey of 3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-[2-(dimethylamino)-2-oxoethyl]-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)-1,7-naphthyridine-3-carboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,6-N,8-trimethyl-1,7-naphthyridine-3,6-dicarboxamide?

The InChIKey is HHINAZSYPQRVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3.C23H24N6O4.C23H23N5O4.C23H25N5O4.C21H21N5O3/c1-13-21-16(11-19(27-13)23(25)30)22(29-18-7-4-8-20-15(18)9-10-32-20)17(12-26-21)24(31)28-14-5-2-3-6-14;1-12-20-14(9-17(27-12)23(32)26-11-19(30)29(2)3)21(15(10-25-20)22(24)31)28-16-5-4-6-18-13(16)7-8-33-18;1-13-20-15(11-18(26-13)23(30)28-6-9-31-10-7-28)21(16(12-25-20)22(24)29)27-17-3-2-4-19-14(17)5-8-32-19;1-13-20-15(11-18(26-13)23(30)28(2)8-10-31-3)21(16(12-25-20)22(24)29)27-17-5-4-6-19-14(17)7-9-32-19;1-11-18-13(9-16(24-11)21(28)26(2)3)19(14(10-23-18)20(22)27)25-15-5-4-6-17-12(15)7-8-29-17/h4,7-8,11-12,14H,2-3,5-6,9-10H2,1H3,(H2,25,30)(H,26,29)(H,28,31);4-6,9-10H,7-8,11H2,1-3H3,(H2,24,31)(H,25,28)(H,26,32);2-4,11-12H,5-10H2,1H3,(H2,24,29)(H,25,27);4-6,11-12H,7-10H2,1-3H3,(H2,24,29)(H,25,27);4-6,9-10H,7-8H2,1-3H3,(H2,22,27)(H,23,25).

What are the key properties of 3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-[2-(dimethylamino)-2-oxoethyl]-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)-1,7-naphthyridine-3-carboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,6-N,8-trimethyl-1,7-naphthyridine-3,6-dicarboxamide?

3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-[2-(dimethylamino)-2-oxoethyl]-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)-1,7-naphthyridine-3-carboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,6-N,8-trimethyl-1,7-naphthyridine-3,6-dicarboxamide has a molecular weight of 2140.36 g/mol, XLogP of 11.96, 26 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-[2-(dimethylamino)-2-oxoethyl]-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)-1,7-naphthyridine-3-carboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,6-N,8-trimethyl-1,7-naphthyridine-3,6-dicarboxamide is sourced from PubChem (CID 173151011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).