N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide

C22H20ClN5O2 — CID 134178003

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide (PubChem CID 134178003) has the molecular formula C22H20ClN5O2 and a molecular weight of 421.89 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide
• PubChem CID: 134178003
• Molecular Formula: C22H20ClN5O2
• Molecular Weight: 421.89 g/mol
• Exact Mass: 421.13
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide
• SMILES: Cc1cc(N)nc(C)c1CNC(=O)c1ncc(Cc2ccc3ncc(Cl)cc3c2)o1
• InChI: InChI=1S/C22H20ClN5O2/c1-12-5-20(24)28-13(2)18(12)11-26-21(29)22-27-10-17(30-22)7-14-3-4-19-15(6-14)8-16(23)9-25-19/h3-6,8-10H,7,11H2,1-2H3,(H2,24,28)(H,26,29)
• InChIKey: GJNCWMJQWUCZEU-UHFFFAOYSA-N
• XLogP: 3.99
• 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	421.89
LogP ≤ 5	3.99
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]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide (CID 134178003) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1ncc(Cc2ccc3ncc(Cl)cc3c2)o1.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide?

The InChIKey is GJNCWMJQWUCZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2/c1-12-5-20(24)28-13(2)18(12)11-26-21(29)22-27-10-17(30-22)7-14-3-4-19-15(6-14)8-16(23)9-25-19/h3-6,8-10H,7,11H2,1-2H3,(H2,24,28)(H,26,29).

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide has a molecular weight of 421.89 g/mol, XLogP of 3.99, 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]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 134178003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).