2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxybenzamide

C32H45ClN4O4 — CID 146309223

About 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxybenzamide

2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxybenzamide (PubChem CID 146309223) has the molecular formula C32H45ClN4O4 and a molecular weight of 585.19 g/mol. Its IUPAC name is 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxybenzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxybenzamide
• PubChem CID: 146309223
• Molecular Formula: C32H45ClN4O4
• Molecular Weight: 585.19 g/mol
• Exact Mass: 584.31
• IUPAC Name: 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxybenzamide
• SMILES: CCN(c1cc(OC2CC(N3CCC(C)CC3)C2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1Cl)C1CCOCC1
• InChI: InChI=1S/C32H45ClN4O4/c1-5-37(23-8-12-40-13-9-23)29-18-26(41-25-15-24(16-25)36-10-6-20(2)7-11-36)17-27(30(29)33)31(38)34-19-28-21(3)14-22(4)35-32(28)39/h14,17-18,20,23-25H,5-13,15-16,19H2,1-4H3,(H,34,38)(H,35,39)
• InChIKey: FPTPZMXZWLIHJT-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 86.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.19
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxybenzamide?

The IUPAC name of 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxybenzamide (CID 146309223) is 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxybenzamide.

What is the SMILES notation for 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxybenzamide?

The canonical SMILES for 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxybenzamide is CCN(c1cc(OC2CC(N3CCC(C)CC3)C2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1Cl)C1CCOCC1.

What is the InChIKey of 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxybenzamide?

The InChIKey is FPTPZMXZWLIHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45ClN4O4/c1-5-37(23-8-12-40-13-9-23)29-18-26(41-25-15-24(16-25)36-10-6-20(2)7-11-36)17-27(30(29)33)31(38)34-19-28-21(3)14-22(4)35-32(28)39/h14,17-18,20,23-25H,5-13,15-16,19H2,1-4H3,(H,34,38)(H,35,39).

What are the key properties of 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxybenzamide?

2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxybenzamide has a molecular weight of 585.19 g/mol, XLogP of 5.22, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxybenzamide is sourced from PubChem (CID 146309223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).