4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide

C23H24ClFN4O4 — CID 146299048

About 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide

4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide (PubChem CID 146299048) has the molecular formula C23H24ClFN4O4 and a molecular weight of 474.92 g/mol. Its IUPAC name is 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
• PubChem CID: 146299048
• Molecular Formula: C23H24ClFN4O4
• Molecular Weight: 474.92 g/mol
• Exact Mass: 474.15
• IUPAC Name: 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
• SMILES: CC(C)c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NC(CO)CO
• InChI: InChI=1S/C23H24ClFN4O4/c1-12(2)21-20(8-16(22(32)29-21)15-7-13(24)3-4-18(15)25)28-19-5-6-26-9-17(19)23(33)27-14(10-30)11-31/h3-9,12,14,30-31H,10-11H2,1-2H3,(H,26,28)(H,27,33)(H,29,32)
• InChIKey: JICPZAYSJOPENY-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 127.34 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.92
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide?

The IUPAC name of 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide (CID 146299048) is 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide.

What is the SMILES notation for 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide?

The canonical SMILES for 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide is CC(C)c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NC(CO)CO.

What is the InChIKey of 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide?

The InChIKey is JICPZAYSJOPENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O4/c1-12(2)21-20(8-16(22(32)29-21)15-7-13(24)3-4-18(15)25)28-19-5-6-26-9-17(19)23(33)27-14(10-30)11-31/h3-9,12,14,30-31H,10-11H2,1-2H3,(H,26,28)(H,27,33)(H,29,32).

What are the key properties of 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide?

4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide has a molecular weight of 474.92 g/mol, XLogP of 3.18, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 146299048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).