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

C26H22ClN7O4 — CID 118981575

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

5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide (PubChem CID 118981575) has the molecular formula C26H22ClN7O4 and a molecular weight of 531.96 g/mol. Its IUPAC name is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-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-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide
• PubChem CID: 118981575
• Molecular Formula: C26H22ClN7O4
• Molecular Weight: 531.96 g/mol
• Exact Mass: 531.14
• IUPAC Name: 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide
• SMILES: COc1cn(C(Cc2ccn(C)n2)C(=O)Nc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(Cl)ccc1C#N
• InChI: InChI=1S/C26H22ClN7O4/c1-33-8-7-17(32-33)10-22(26(37)31-18-5-6-21(25(29)36)30-13-18)34-14-23(38-2)20(11-24(34)35)19-9-16(27)4-3-15(19)12-28/h3-9,11,13-14,22H,10H2,1-2H3,(H2,29,36)(H,31,37)
• InChIKey: ABXQUFBXKHNDPY-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 157.92 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	531.96
LogP ≤ 5	2.70
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-(1-methylpyrazol-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-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide (CID 118981575) is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-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-(1-methylpyrazol-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-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide is COc1cn(C(Cc2ccn(C)n2)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-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide?

The InChIKey is ABXQUFBXKHNDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN7O4/c1-33-8-7-17(32-33)10-22(26(37)31-18-5-6-21(25(29)36)30-13-18)34-14-23(38-2)20(11-24(34)35)19-9-16(27)4-3-15(19)12-28/h3-9,11,13-14,22H,10H2,1-2H3,(H2,29,36)(H,31,37).

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

5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide has a molecular weight of 531.96 g/mol, XLogP of 2.70, 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-(1-methylpyrazol-3-yl)propanoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 118981575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).