(1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate

C₂₈H₃₂N₆O₄ — CID 90871316

About (1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate

(1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate (PubChem CID 90871316) has the molecular formula C₂₈H₃₂N₆O₄ and a molecular weight of 516.60 g/mol. Its IUPAC name is (1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate.

Molecular Properties

• Compound Name: (1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate
• PubChem CID: 90871316
• Molecular Formula: C₂₈H₃₂N₆O₄
• Molecular Weight: 516.60 g/mol
• Exact Mass: 516.25
• IUPAC Name: (1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate
• SMILES: NC(=O)C1(OC(=O)C2CCN(c3nc(-c4ccnc(NC5CCOCC5)c4)cc4cnccc34)CC2)CC1
• InChI: InChI=1S/C28H32N6O4/c29-27(36)28(7-8-28)38-26(35)18-3-11-34(12-4-18)25-22-2-9-30-17-20(22)15-23(33-25)19-1-10-31-24(16-19)32-21-5-13-37-14-6-21/h1-2,9-10,15-18,21H,3-8,11-14H2,(H2,29,36)(H,31,32)
• InChIKey: JAHRNUWXPUICKJ-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 132.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.60
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate?

The IUPAC name of (1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate (CID 90871316) is (1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate.

What is the SMILES notation for (1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate?

The canonical SMILES for (1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate is NC(=O)C1(OC(=O)C2CCN(c3nc(-c4ccnc(NC5CCOCC5)c4)cc4cnccc34)CC2)CC1.

What is the InChIKey of (1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate?

The InChIKey is JAHRNUWXPUICKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O4/c29-27(36)28(7-8-28)38-26(35)18-3-11-34(12-4-18)25-22-2-9-30-17-20(22)15-23(33-25)19-1-10-31-24(16-19)32-21-5-13-37-14-6-21/h1-2,9-10,15-18,21H,3-8,11-14H2,(H2,29,36)(H,31,32).

What are the key properties of (1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate?

(1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate has a molecular weight of 516.60 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate is sourced from PubChem (CID 90871316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 90871316 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.