4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(propan-2-ylamino)pyridine-2-carboxamide

C26H33N5O2 — CID 175107600

About 4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(propan-2-ylamino)pyridine-2-carboxamide

4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(propan-2-ylamino)pyridine-2-carboxamide (PubChem CID 175107600) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(propan-2-ylamino)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(propan-2-ylamino)pyridine-2-carboxamide
• PubChem CID: 175107600
• Molecular Formula: C26H33N5O2
• Molecular Weight: 447.58 g/mol
• Exact Mass: 447.26
• IUPAC Name: 4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(propan-2-ylamino)pyridine-2-carboxamide
• SMILES: Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN(C)C)cc3)cc(NC(C)C)n2)c(=O)[nH]1
• InChI: InChI=1S/C26H33N5O2/c1-16(2)28-24-13-21(20-9-7-19(8-10-20)15-31(5)6)12-23(30-24)26(33)27-14-22-17(3)11-18(4)29-25(22)32/h7-13,16H,14-15H2,1-6H3,(H,27,33)(H,28,30)(H,29,32)
• InChIKey: HJXLFBJOQKQMPY-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 90.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.58
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(propan-2-ylamino)pyridine-2-carboxamide?

The IUPAC name of 4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(propan-2-ylamino)pyridine-2-carboxamide (CID 175107600) is 4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(propan-2-ylamino)pyridine-2-carboxamide.

What is the SMILES notation for 4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(propan-2-ylamino)pyridine-2-carboxamide?

The canonical SMILES for 4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(propan-2-ylamino)pyridine-2-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN(C)C)cc3)cc(NC(C)C)n2)c(=O)[nH]1.

What is the InChIKey of 4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(propan-2-ylamino)pyridine-2-carboxamide?

The InChIKey is HJXLFBJOQKQMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-16(2)28-24-13-21(20-9-7-19(8-10-20)15-31(5)6)12-23(30-24)26(33)27-14-22-17(3)11-18(4)29-25(22)32/h7-13,16H,14-15H2,1-6H3,(H,27,33)(H,28,30)(H,29,32).

What are the key properties of 4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(propan-2-ylamino)pyridine-2-carboxamide?

4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(propan-2-ylamino)pyridine-2-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 3.87, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(propan-2-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 175107600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).