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

C27H23ClN6O5 — CID 121245984

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

5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 121245984) has the molecular formula C27H23ClN6O5 and a molecular weight of 546.97 g/mol. Its IUPAC name is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide
• PubChem CID: 121245984
• Molecular Formula: C27H23ClN6O5
• Molecular Weight: 546.97 g/mol
• Exact Mass: 546.14
• IUPAC Name: 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide
• SMILES: CNC(=O)c1ccc(NC(=O)C(Cc2coc(C)n2)n2cc(OC)c(-c3cc(Cl)ccc3C#N)cc2=O)cn1
• InChI: InChI=1S/C27H23ClN6O5/c1-15-32-19(14-39-15)9-23(27(37)33-18-6-7-22(31-12-18)26(36)30-2)34-13-24(38-3)21(10-25(34)35)20-8-17(28)5-4-16(20)11-29/h4-8,10,12-14,23H,9H2,1-3H3,(H,30,36)(H,33,37)
• InChIKey: DGKDJGQNFNLUGV-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 152.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.97
LogP ≤ 5	3.52
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-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide?

The IUPAC name of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide (CID 121245984) is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide.

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

The canonical SMILES for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(NC(=O)C(Cc2coc(C)n2)n2cc(OC)c(-c3cc(Cl)ccc3C#N)cc2=O)cn1.

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

The InChIKey is DGKDJGQNFNLUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN6O5/c1-15-32-19(14-39-15)9-23(27(37)33-18-6-7-22(31-12-18)26(36)30-2)34-13-24(38-3)21(10-25(34)35)20-8-17(28)5-4-16(20)11-29/h4-8,10,12-14,23H,9H2,1-3H3,(H,30,36)(H,33,37).

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

5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 546.97 g/mol, XLogP of 3.52, 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-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 121245984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).