2-aminopyridine-3-carboxamide;4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;2-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]pyridine-3-carboxamide

C48H45ClN12O4 — CID 160644132

About 2-aminopyridine-3-carboxamide;4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;2-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]pyridine-3-carboxamide

2-aminopyridine-3-carboxamide;4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;2-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]pyridine-3-carboxamide (PubChem CID 160644132) has the molecular formula C48H45ClN12O4 and a molecular weight of 889.42 g/mol. Its IUPAC name is 2-aminopyridine-3-carboxamide;4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;2-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-aminopyridine-3-carboxamide;4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;2-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]pyridine-3-carboxamide
• PubChem CID: 160644132
• Molecular Formula: C48H45ClN12O4
• Molecular Weight: 889.42 g/mol
• Exact Mass: 888.34
• IUPAC Name: 2-aminopyridine-3-carboxamide;4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;2-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]pyridine-3-carboxamide
• SMILES: Clc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncccc12.NC(=O)c1cccnc1N.NC(=O)c1cccnc1Nc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncccc12
• InChI: InChI=1S/C24H22N6O2.C18H16ClN3O.C6H7N3O/c25-22(31)19-4-2-10-27-23(19)29-24-18-3-1-9-26-21(18)15-20(28-24)16-5-7-17(8-6-16)30-11-13-32-14-12-30;19-18-15-2-1-7-20-17(15)12-16(21-18)13-3-5-14(6-4-13)22-8-10-23-11-9-22;7-5-4(6(8)10)2-1-3-9-5/h1-10,15H,11-14H2,(H2,25,31)(H,27,28,29);1-7,12H,8-11H2;1-3H,(H2,7,9)(H2,8,10)
• InChIKey: RJODYRJCCXMEQK-UHFFFAOYSA-N
• XLogP: 6.92
• TPSA: 226.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	889.42
LogP ≤ 5	6.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-aminopyridine-3-carboxamide;4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;2-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]pyridine-3-carboxamide?

The IUPAC name of 2-aminopyridine-3-carboxamide;4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;2-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]pyridine-3-carboxamide (CID 160644132) is 2-aminopyridine-3-carboxamide;4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;2-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 2-aminopyridine-3-carboxamide;4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;2-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]pyridine-3-carboxamide?

The canonical SMILES for 2-aminopyridine-3-carboxamide;4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;2-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]pyridine-3-carboxamide is Clc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncccc12.NC(=O)c1cccnc1N.NC(=O)c1cccnc1Nc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncccc12.

What is the InChIKey of 2-aminopyridine-3-carboxamide;4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;2-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]pyridine-3-carboxamide?

The InChIKey is RJODYRJCCXMEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2.C18H16ClN3O.C6H7N3O/c25-22(31)19-4-2-10-27-23(19)29-24-18-3-1-9-26-21(18)15-20(28-24)16-5-7-17(8-6-16)30-11-13-32-14-12-30;19-18-15-2-1-7-20-17(15)12-16(21-18)13-3-5-14(6-4-13)22-8-10-23-11-9-22;7-5-4(6(8)10)2-1-3-9-5/h1-10,15H,11-14H2,(H2,25,31)(H,27,28,29);1-7,12H,8-11H2;1-3H,(H2,7,9)(H2,8,10).

What are the key properties of 2-aminopyridine-3-carboxamide;4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;2-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]pyridine-3-carboxamide?

2-aminopyridine-3-carboxamide;4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;2-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]pyridine-3-carboxamide has a molecular weight of 889.42 g/mol, XLogP of 6.92, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminopyridine-3-carboxamide;4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;2-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 160644132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).