N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[4-[(3-fluoropiperidin-1-yl)methyl]phenyl]benzamide

C34H43FN4O3 — CID 135369505

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[4-[(3-fluoropiperidin-1-yl)methyl]phenyl]benzamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[4-[(3-fluoropiperidin-1-yl)methyl]phenyl]benzamide (PubChem CID 135369505) has the molecular formula C34H43FN4O3 and a molecular weight of 574.74 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[4-[(3-fluoropiperidin-1-yl)methyl]phenyl]benzamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[4-[(3-fluoropiperidin-1-yl)methyl]phenyl]benzamide
• PubChem CID: 135369505
• Molecular Formula: C34H43FN4O3
• Molecular Weight: 574.74 g/mol
• Exact Mass: 574.33
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[4-[(3-fluoropiperidin-1-yl)methyl]phenyl]benzamide
• SMILES: CCN(c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc(-c2ccc(CN3CCCC(F)C3)cc2)c1)C1CCOCC1
• InChI: InChI=1S/C34H43FN4O3/c1-4-39(30-11-14-42-15-12-30)31-18-27(26-9-7-25(8-10-26)21-38-13-5-6-29(35)22-38)17-28(19-31)33(40)36-20-32-23(2)16-24(3)37-34(32)41/h7-10,16-19,29-30H,4-6,11-15,20-22H2,1-3H3,(H,36,40)(H,37,41)
• InChIKey: FXSHORHWDVGPNY-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 77.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.74
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[4-[(3-fluoropiperidin-1-yl)methyl]phenyl]benzamide (CID 135369505) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[4-[(3-fluoropiperidin-1-yl)methyl]phenyl]benzamide.

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

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[4-[(3-fluoropiperidin-1-yl)methyl]phenyl]benzamide is CCN(c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc(-c2ccc(CN3CCCC(F)C3)cc2)c1)C1CCOCC1.

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

The InChIKey is FXSHORHWDVGPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43FN4O3/c1-4-39(30-11-14-42-15-12-30)31-18-27(26-9-7-25(8-10-26)21-38-13-5-6-29(35)22-38)17-28(19-31)33(40)36-20-32-23(2)16-24(3)37-34(32)41/h7-10,16-19,29-30H,4-6,11-15,20-22H2,1-3H3,(H,36,40)(H,37,41).

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[4-[(3-fluoropiperidin-1-yl)methyl]phenyl]benzamide has a molecular weight of 574.74 g/mol, XLogP of 5.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[4-[(3-fluoropiperidin-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 135369505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).