5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(5-methyl-1,2-oxazol-3-yl)propanoyl]amino]pyridine-2-carboxamide

C26H21ClN6O5 — CID 118981658

About 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(5-methyl-1,2-oxazol-3-yl)propanoyl]amino]pyridine-2-carboxamide

5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(5-methyl-1,2-oxazol-3-yl)propanoyl]amino]pyridine-2-carboxamide (PubChem CID 118981658) has the molecular formula C26H21ClN6O5 and a molecular weight of 532.94 g/mol. Its IUPAC name is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(5-methyl-1,2-oxazol-3-yl)propanoyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(5-methyl-1,2-oxazol-3-yl)propanoyl]amino]pyridine-2-carboxamide
• PubChem CID: 118981658
• Molecular Formula: C26H21ClN6O5
• Molecular Weight: 532.94 g/mol
• Exact Mass: 532.13
• IUPAC Name: 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(5-methyl-1,2-oxazol-3-yl)propanoyl]amino]pyridine-2-carboxamide
• SMILES: COc1cn(C(Cc2cc(C)on2)C(=O)Nc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(Cl)ccc1C#N
• InChI: InChI=1S/C26H21ClN6O5/c1-14-7-18(32-38-14)9-22(26(36)31-17-5-6-21(25(29)35)30-12-17)33-13-23(37-2)20(10-24(33)34)19-8-16(27)4-3-15(19)11-28/h3-8,10,12-13,22H,9H2,1-2H3,(H2,29,35)(H,31,36)
• InChIKey: XKGAJCVGJSKVNB-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 166.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.94
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(5-methyl-1,2-oxazol-3-yl)propanoyl]amino]pyridine-2-carboxamide?

The IUPAC name of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(5-methyl-1,2-oxazol-3-yl)propanoyl]amino]pyridine-2-carboxamide (CID 118981658) is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(5-methyl-1,2-oxazol-3-yl)propanoyl]amino]pyridine-2-carboxamide.

What is the SMILES notation for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(5-methyl-1,2-oxazol-3-yl)propanoyl]amino]pyridine-2-carboxamide?

The canonical SMILES for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(5-methyl-1,2-oxazol-3-yl)propanoyl]amino]pyridine-2-carboxamide is COc1cn(C(Cc2cc(C)on2)C(=O)Nc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(Cl)ccc1C#N.

What is the InChIKey of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(5-methyl-1,2-oxazol-3-yl)propanoyl]amino]pyridine-2-carboxamide?

The InChIKey is XKGAJCVGJSKVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN6O5/c1-14-7-18(32-38-14)9-22(26(36)31-17-5-6-21(25(29)35)30-12-17)33-13-23(37-2)20(10-24(33)34)19-8-16(27)4-3-15(19)11-28/h3-8,10,12-13,22H,9H2,1-2H3,(H2,29,35)(H,31,36).

What are the key properties of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(5-methyl-1,2-oxazol-3-yl)propanoyl]amino]pyridine-2-carboxamide?

5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(5-methyl-1,2-oxazol-3-yl)propanoyl]amino]pyridine-2-carboxamide has a molecular weight of 532.94 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(5-methyl-1,2-oxazol-3-yl)propanoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 118981658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).