N-[(4S)-4-(3-fluoro-4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide

C23H18FN5O4 — CID 136963291

About N-[(4S)-4-(3-fluoro-4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide

N-[(4S)-4-(3-fluoro-4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide (PubChem CID 136963291) has the molecular formula C23H18FN5O4 and a molecular weight of 447.43 g/mol. Its IUPAC name is N-[(4S)-4-(3-fluoro-4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(4S)-4-(3-fluoro-4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide
• PubChem CID: 136963291
• Molecular Formula: C23H18FN5O4
• Molecular Weight: 447.43 g/mol
• Exact Mass: 447.13
• IUPAC Name: N-[(4S)-4-(3-fluoro-4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide
• SMILES: Cc1ccc([C@@]2(NC(=O)c3ccc(-c4noc(=O)[nH]4)cn3)CCOc3cccnc32)cc1F
• InChI: InChI=1S/C23H18FN5O4/c1-13-4-6-15(11-16(13)24)23(8-10-32-18-3-2-9-25-19(18)23)28-21(30)17-7-5-14(12-26-17)20-27-22(31)33-29-20/h2-7,9,11-12H,8,10H2,1H3,(H,28,30)(H,27,29,31)/t23-/m0/s1
• InChIKey: ISHFWUXEMJLBNU-QHCPKHFHSA-N
• XLogP: 2.72
• TPSA: 123.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.43
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-(3-fluoro-4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide?

The IUPAC name of N-[(4S)-4-(3-fluoro-4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide (CID 136963291) is N-[(4S)-4-(3-fluoro-4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide.

What is the SMILES notation for N-[(4S)-4-(3-fluoro-4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide?

The canonical SMILES for N-[(4S)-4-(3-fluoro-4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide is Cc1ccc([C@@]2(NC(=O)c3ccc(-c4noc(=O)[nH]4)cn3)CCOc3cccnc32)cc1F.

What is the InChIKey of N-[(4S)-4-(3-fluoro-4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide?

The InChIKey is ISHFWUXEMJLBNU-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H18FN5O4/c1-13-4-6-15(11-16(13)24)23(8-10-32-18-3-2-9-25-19(18)23)28-21(30)17-7-5-14(12-26-17)20-27-22(31)33-29-20/h2-7,9,11-12H,8,10H2,1H3,(H,28,30)(H,27,29,31)/t23-/m0/s1.

What are the key properties of N-[(4S)-4-(3-fluoro-4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide?

N-[(4S)-4-(3-fluoro-4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide has a molecular weight of 447.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4S)-4-(3-fluoro-4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 136963291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).