4-(hydroxymethyl)-N-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide

C19H20N4O3 — CID 138590161

About 4-(hydroxymethyl)-N-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide

4-(hydroxymethyl)-N-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide (PubChem CID 138590161) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 4-(hydroxymethyl)-N-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
• PubChem CID: 138590161
• Molecular Formula: C19H20N4O3
• Molecular Weight: 352.39 g/mol
• Exact Mass: 352.15
• IUPAC Name: 4-(hydroxymethyl)-N-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
• SMILES: O=C(Nc1cc2cc(-c3cnco3)ncc2cn1)C1CCC(CO)CC1
• InChI: InChI=1S/C19H20N4O3/c24-10-12-1-3-13(4-2-12)19(25)23-18-6-14-5-16(17-9-20-11-26-17)21-7-15(14)8-22-18/h5-9,11-13,24H,1-4,10H2,(H,22,23,25)
• InChIKey: JGVUMZMNQLRTPZ-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 101.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.39
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?

The IUPAC name of 4-(hydroxymethyl)-N-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide (CID 138590161) is 4-(hydroxymethyl)-N-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide.

What is the SMILES notation for 4-(hydroxymethyl)-N-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?

The canonical SMILES for 4-(hydroxymethyl)-N-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide is O=C(Nc1cc2cc(-c3cnco3)ncc2cn1)C1CCC(CO)CC1.

What is the InChIKey of 4-(hydroxymethyl)-N-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?

The InChIKey is JGVUMZMNQLRTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-10-12-1-3-13(4-2-12)19(25)23-18-6-14-5-16(17-9-20-11-26-17)21-7-15(14)8-22-18/h5-9,11-13,24H,1-4,10H2,(H,22,23,25).

What are the key properties of 4-(hydroxymethyl)-N-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?

4-(hydroxymethyl)-N-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(hydroxymethyl)-N-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 138590161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).