5-chloro-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide

C23H25ClN6O3 — CID 165112805

About 5-chloro-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide

5-chloro-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide (PubChem CID 165112805) has the molecular formula C23H25ClN6O3 and a molecular weight of 468.95 g/mol. Its IUPAC name is 5-chloro-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide
• PubChem CID: 165112805
• Molecular Formula: C23H25ClN6O3
• Molecular Weight: 468.95 g/mol
• Exact Mass: 468.17
• IUPAC Name: 5-chloro-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide
• SMILES: O=C(NC1CCC(Oc2nc(N3CCOCC3)cc3ncccc23)CC1)c1ncc(Cl)cn1
• InChI: InChI=1S/C23H25ClN6O3/c24-15-13-26-21(27-14-15)22(31)28-16-3-5-17(6-4-16)33-23-18-2-1-7-25-19(18)12-20(29-23)30-8-10-32-11-9-30/h1-2,7,12-14,16-17H,3-6,8-11H2,(H,28,31)
• InChIKey: VLIWROXZVNWBQQ-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 102.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.95
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide?

The IUPAC name of 5-chloro-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide (CID 165112805) is 5-chloro-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide?

The canonical SMILES for 5-chloro-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide is O=C(NC1CCC(Oc2nc(N3CCOCC3)cc3ncccc23)CC1)c1ncc(Cl)cn1.

What is the InChIKey of 5-chloro-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide?

The InChIKey is VLIWROXZVNWBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O3/c24-15-13-26-21(27-14-15)22(31)28-16-3-5-17(6-4-16)33-23-18-2-1-7-25-19(18)12-20(29-23)30-8-10-32-11-9-30/h1-2,7,12-14,16-17H,3-6,8-11H2,(H,28,31).

What are the key properties of 5-chloro-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide?

5-chloro-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide has a molecular weight of 468.95 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 165112805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).