5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C18H20ClN3O2 — CID 74231777

About 5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 74231777) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 74231777
• Molecular Formula: C18H20ClN3O2
• Molecular Weight: 345.83 g/mol
• Exact Mass: 345.12
• IUPAC Name: 5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
• SMILES: Cc1cccc(C(NC(=O)c2c(C)c(Cl)c(C)[nH]c2=O)C2CC2)n1
• InChI: InChI=1S/C18H20ClN3O2/c1-9-5-4-6-13(20-9)16(12-7-8-12)22-18(24)14-10(2)15(19)11(3)21-17(14)23/h4-6,12,16H,7-8H2,1-3H3,(H,21,23)(H,22,24)
• InChIKey: VKUBKBHUSWYTRX-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 74.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.83
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of 5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 74231777) is 5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

What is the SMILES notation for 5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for 5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cccc(C(NC(=O)c2c(C)c(Cl)c(C)[nH]c2=O)C2CC2)n1.

What is the InChIKey of 5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?

The InChIKey is VKUBKBHUSWYTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-9-5-4-6-13(20-9)16(12-7-8-12)22-18(24)14-10(2)15(19)11(3)21-17(14)23/h4-6,12,16H,7-8H2,1-3H3,(H,21,23)(H,22,24).

What are the key properties of 5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?

5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 74231777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).