2-O-tert-butyl 7-O-ethyl 3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylate;tert-butyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine

C50H64N14O7 — CID 162215264

About 2-O-tert-butyl 7-O-ethyl 3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylate;tert-butyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine

2-O-tert-butyl 7-O-ethyl 3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylate;tert-butyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine (PubChem CID 162215264) has the molecular formula C50H64N14O7 and a molecular weight of 973.15 g/mol. Its IUPAC name is 2-O-tert-butyl 7-O-ethyl 3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylate;tert-butyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 2-O-tert-butyl 7-O-ethyl 3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylate;tert-butyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
• PubChem CID: 162215264
• Molecular Formula: C50H64N14O7
• Molecular Weight: 973.15 g/mol
• Exact Mass: 972.51
• IUPAC Name: 2-O-tert-butyl 7-O-ethyl 3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylate;tert-butyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
• SMILES: CC(C)n1cnnc1-c1cccc(N)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)OC(C)(C)C)C3)n1.CCOC(=O)c1cc2c(cn1)CCN(C(=O)OC(C)(C)C)C2
• InChI: InChI=1S/C24H29N7O3.C16H22N2O4.C10H13N5/c1-15(2)31-14-26-29-21(31)18-7-6-8-20(27-18)28-22(32)19-11-17-13-30(10-9-16(17)12-25-19)23(33)34-24(3,4)5;1-5-21-14(19)13-8-12-10-18(7-6-11(12)9-17-13)15(20)22-16(2,3)4;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8/h6-8,11-12,14-15H,9-10,13H2,1-5H3,(H,27,28,32);8-9H,5-7,10H2,1-4H3;3-7H,1-2H3,(H2,11,13)
• InChIKey: ZTJKQRGKSZGYLF-UHFFFAOYSA-N
• XLogP: 7.92
• TPSA: 253.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	973.15
LogP ≤ 5	7.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-O-tert-butyl 7-O-ethyl 3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylate;tert-butyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?

The IUPAC name of 2-O-tert-butyl 7-O-ethyl 3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylate;tert-butyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine (CID 162215264) is 2-O-tert-butyl 7-O-ethyl 3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylate;tert-butyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine.

What is the SMILES notation for 2-O-tert-butyl 7-O-ethyl 3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylate;tert-butyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?

The canonical SMILES for 2-O-tert-butyl 7-O-ethyl 3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylate;tert-butyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine is CC(C)n1cnnc1-c1cccc(N)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)OC(C)(C)C)C3)n1.CCOC(=O)c1cc2c(cn1)CCN(C(=O)OC(C)(C)C)C2.

What is the InChIKey of 2-O-tert-butyl 7-O-ethyl 3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylate;tert-butyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?

The InChIKey is ZTJKQRGKSZGYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3.C16H22N2O4.C10H13N5/c1-15(2)31-14-26-29-21(31)18-7-6-8-20(27-18)28-22(32)19-11-17-13-30(10-9-16(17)12-25-19)23(33)34-24(3,4)5;1-5-21-14(19)13-8-12-10-18(7-6-11(12)9-17-13)15(20)22-16(2,3)4;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8/h6-8,11-12,14-15H,9-10,13H2,1-5H3,(H,27,28,32);8-9H,5-7,10H2,1-4H3;3-7H,1-2H3,(H2,11,13).

What are the key properties of 2-O-tert-butyl 7-O-ethyl 3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylate;tert-butyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?

2-O-tert-butyl 7-O-ethyl 3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylate;tert-butyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine has a molecular weight of 973.15 g/mol, XLogP of 7.92, 8 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-O-tert-butyl 7-O-ethyl 3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylate;tert-butyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 162215264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).