2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-[2-(1,3-oxazol-5-ylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]pyridine-4-carboxamide

C25H30N6O4 — CID 162458315

About 2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-[2-(1,3-oxazol-5-ylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]pyridine-4-carboxamide

2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-[2-(1,3-oxazol-5-ylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]pyridine-4-carboxamide (PubChem CID 162458315) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is 2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-[2-(1,3-oxazol-5-ylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-[2-(1,3-oxazol-5-ylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]pyridine-4-carboxamide
• PubChem CID: 162458315
• Molecular Formula: C25H30N6O4
• Molecular Weight: 478.55 g/mol
• Exact Mass: 478.23
• IUPAC Name: 2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-[2-(1,3-oxazol-5-ylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]pyridine-4-carboxamide
• SMILES: O=C(NC[C@H](O)CN1CCc2nc(OCc3cnco3)ccc2C1)c1ccnc(NC2CCC2)c1
• InChI: InChI=1S/C25H30N6O4/c32-20(11-28-25(33)17-6-8-27-23(10-17)29-19-2-1-3-19)14-31-9-7-22-18(13-31)4-5-24(30-22)34-15-21-12-26-16-35-21/h4-6,8,10,12,16,19-20,32H,1-3,7,9,11,13-15H2,(H,27,29)(H,28,33)/t20-/m0/s1
• InChIKey: MZKNXKAWCJPKEZ-FQEVSTJZSA-N
• XLogP: 2.16
• TPSA: 125.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-[2-(1,3-oxazol-5-ylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]pyridine-4-carboxamide?

The IUPAC name of 2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-[2-(1,3-oxazol-5-ylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]pyridine-4-carboxamide (CID 162458315) is 2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-[2-(1,3-oxazol-5-ylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]pyridine-4-carboxamide.

What is the SMILES notation for 2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-[2-(1,3-oxazol-5-ylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]pyridine-4-carboxamide?

The canonical SMILES for 2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-[2-(1,3-oxazol-5-ylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]pyridine-4-carboxamide is O=C(NC[C@H](O)CN1CCc2nc(OCc3cnco3)ccc2C1)c1ccnc(NC2CCC2)c1.

What is the InChIKey of 2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-[2-(1,3-oxazol-5-ylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]pyridine-4-carboxamide?

The InChIKey is MZKNXKAWCJPKEZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H30N6O4/c32-20(11-28-25(33)17-6-8-27-23(10-17)29-19-2-1-3-19)14-31-9-7-22-18(13-31)4-5-24(30-22)34-15-21-12-26-16-35-21/h4-6,8,10,12,16,19-20,32H,1-3,7,9,11,13-15H2,(H,27,29)(H,28,33)/t20-/m0/s1.

What are the key properties of 2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-[2-(1,3-oxazol-5-ylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]pyridine-4-carboxamide?

2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-[2-(1,3-oxazol-5-ylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]pyridine-4-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 2.16, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-[2-(1,3-oxazol-5-ylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]pyridine-4-carboxamide is sourced from PubChem (CID 162458315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).