N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-8-yl)methyl]-1,3-oxazole-4-carboxamide

C23H23N5O2 — CID 118002620

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-8-yl)methyl]-1,3-oxazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-8-yl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 118002620) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-8-yl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-8-yl)methyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 118002620
• Molecular Formula: C23H23N5O2
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.19
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-8-yl)methyl]-1,3-oxazole-4-carboxamide
• SMILES: Cc1ccc2cccc(Cc3nc(C(=O)NCc4c(C)cc(N)nc4C)co3)c2n1
• InChI: InChI=1S/C23H23N5O2/c1-13-9-20(24)27-15(3)18(13)11-25-23(29)19-12-30-21(28-19)10-17-6-4-5-16-8-7-14(2)26-22(16)17/h4-9,12H,10-11H2,1-3H3,(H2,24,27)(H,25,29)
• InChIKey: VKEWLLXNJJACTI-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 106.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-8-yl)methyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-8-yl)methyl]-1,3-oxazole-4-carboxamide (CID 118002620) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-8-yl)methyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-8-yl)methyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-8-yl)methyl]-1,3-oxazole-4-carboxamide is Cc1ccc2cccc(Cc3nc(C(=O)NCc4c(C)cc(N)nc4C)co3)c2n1.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-8-yl)methyl]-1,3-oxazole-4-carboxamide?

The InChIKey is VKEWLLXNJJACTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-13-9-20(24)27-15(3)18(13)11-25-23(29)19-12-30-21(28-19)10-17-6-4-5-16-8-7-14(2)26-22(16)17/h4-9,12H,10-11H2,1-3H3,(H2,24,27)(H,25,29).

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-8-yl)methyl]-1,3-oxazole-4-carboxamide?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-8-yl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-8-yl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118002620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).