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

C26H21ClN6O5 — CID 118981586

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

5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 118981586) 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-(1,3-oxazol-5-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-(1,3-oxazol-5-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide
• PubChem CID: 118981586
• 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-(1,3-oxazol-5-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide
• SMILES: CNC(=O)c1ccc(NC(=O)C(Cc2cnco2)n2cc(OC)c(-c3cc(Cl)ccc3C#N)cc2=O)cn1
• InChI: InChI=1S/C26H21ClN6O5/c1-29-25(35)21-6-5-17(11-31-21)32-26(36)22(8-18-12-30-14-38-18)33-13-23(37-2)20(9-24(33)34)19-7-16(27)4-3-15(19)10-28/h3-7,9,11-14,22H,8H2,1-2H3,(H,29,35)(H,32,36)
• InChIKey: HUHMACFYSCFLOC-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 152.14 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	3.21
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-(1,3-oxazol-5-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-(1,3-oxazol-5-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide (CID 118981586) is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-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-(1,3-oxazol-5-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-(1,3-oxazol-5-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(NC(=O)C(Cc2cnco2)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-(1,3-oxazol-5-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide?

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

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

5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 532.94 g/mol, XLogP of 3.21, 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-(1,3-oxazol-5-yl)propanoyl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 118981586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).