N-methyl-4-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide

C26H22N4O3 — CID 24821608

About N-methyl-4-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide

N-methyl-4-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide (PubChem CID 24821608) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-methyl-4-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-methyl-4-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide
• PubChem CID: 24821608
• Molecular Formula: C26H22N4O3
• Molecular Weight: 438.49 g/mol
• Exact Mass: 438.17
• IUPAC Name: N-methyl-4-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide
• SMILES: CNC(=O)c1cc(Oc2ccc3nc(N[C@@H](C)c4ccc5ccccc5c4)oc3c2)ccn1
• InChI: InChI=1S/C26H22N4O3/c1-16(18-8-7-17-5-3-4-6-19(17)13-18)29-26-30-22-10-9-20(15-24(22)33-26)32-21-11-12-28-23(14-21)25(31)27-2/h3-16H,1-2H3,(H,27,31)(H,29,30)/t16-/m0/s1
• InChIKey: ADSWTCLUTJLESN-INIZCTEOSA-N
• XLogP: 5.70
• TPSA: 89.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.49
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide?

The IUPAC name of N-methyl-4-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide (CID 24821608) is N-methyl-4-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide.

What is the SMILES notation for N-methyl-4-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide?

The canonical SMILES for N-methyl-4-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(N[C@@H](C)c4ccc5ccccc5c4)oc3c2)ccn1.

What is the InChIKey of N-methyl-4-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide?

The InChIKey is ADSWTCLUTJLESN-INIZCTEOSA-N. The full InChI is InChI=1S/C26H22N4O3/c1-16(18-8-7-17-5-3-4-6-19(17)13-18)29-26-30-22-10-9-20(15-24(22)33-26)32-21-11-12-28-23(14-21)25(31)27-2/h3-16H,1-2H3,(H,27,31)(H,29,30)/t16-/m0/s1.

What are the key properties of N-methyl-4-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide?

N-methyl-4-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 5.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-4-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 24821608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).