N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-4-carboxamide

C27H32N4O2 — CID 45489439

About N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-4-carboxamide

N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-4-carboxamide (PubChem CID 45489439) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-4-carboxamide
• PubChem CID: 45489439
• Molecular Formula: C27H32N4O2
• Molecular Weight: 444.58 g/mol
• Exact Mass: 444.25
• IUPAC Name: N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-4-carboxamide
• SMILES: CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccncc1)c1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C27H32N4O2/c1-26(2,3)21-9-11-22(12-10-21)31(25(33)19-13-16-28-17-14-19)23(20-8-7-15-29-18-20)24(32)30-27(4,5)6/h7-18,23H,1-6H3,(H,30,32)
• InChIKey: VWZQHFKHVJOHQH-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.58
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-4-carboxamide?

The IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-4-carboxamide (CID 45489439) is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-4-carboxamide.

What is the SMILES notation for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-4-carboxamide?

The canonical SMILES for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-4-carboxamide is CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccncc1)c1ccc(C(C)(C)C)cc1.

What is the InChIKey of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-4-carboxamide?

The InChIKey is VWZQHFKHVJOHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-26(2,3)21-9-11-22(12-10-21)31(25(33)19-13-16-28-17-14-19)23(20-8-7-15-29-18-20)24(32)30-27(4,5)6/h7-18,23H,1-6H3,(H,30,32).

What are the key properties of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-4-carboxamide?

N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-4-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 45489439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).