2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]pyridine-4-carboxamide

C23H20N6O2 — CID 138588787

About 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]pyridine-4-carboxamide

2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]pyridine-4-carboxamide (PubChem CID 138588787) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]pyridine-4-carboxamide
• PubChem CID: 138588787
• Molecular Formula: C23H20N6O2
• Molecular Weight: 412.45 g/mol
• Exact Mass: 412.16
• IUPAC Name: 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]pyridine-4-carboxamide
• SMILES: CN1CC=C(c2cc(C(=O)Nc3ncc4ccc(-c5cnco5)cc4n3)ccn2)CC1
• InChI: InChI=1S/C23H20N6O2/c1-29-8-5-15(6-9-29)19-11-17(4-7-25-19)22(30)28-23-26-12-18-3-2-16(10-20(18)27-23)21-13-24-14-31-21/h2-5,7,10-14H,6,8-9H2,1H3,(H,26,27,28,30)
• InChIKey: JFIGQILNDBOXGQ-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 97.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.45
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]pyridine-4-carboxamide?

The IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]pyridine-4-carboxamide (CID 138588787) is 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]pyridine-4-carboxamide.

What is the SMILES notation for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]pyridine-4-carboxamide?

The canonical SMILES for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]pyridine-4-carboxamide is CN1CC=C(c2cc(C(=O)Nc3ncc4ccc(-c5cnco5)cc4n3)ccn2)CC1.

What is the InChIKey of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]pyridine-4-carboxamide?

The InChIKey is JFIGQILNDBOXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-29-8-5-15(6-9-29)19-11-17(4-7-25-19)22(30)28-23-26-12-18-3-2-16(10-20(18)27-23)21-13-24-14-31-21/h2-5,7,10-14H,6,8-9H2,1H3,(H,26,27,28,30).

What are the key properties of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]pyridine-4-carboxamide?

2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]pyridine-4-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 138588787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).