N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide

C27H32N4O2 — CID 3862208

About N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide

N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide (PubChem CID 3862208) 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-4-ylethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide
• PubChem CID: 3862208
• Molecular Formula: C27H32N4O2
• Molecular Weight: 444.58 g/mol
• Exact Mass: 444.25
• IUPAC Name: N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide
• SMILES: CC(C)(C)NC(=O)C(c1ccncc1)N(C(=O)c1ccc(-c2ccccc2)[nH]1)C1CCCC1
• InChI: InChI=1S/C27H32N4O2/c1-27(2,3)30-25(32)24(20-15-17-28-18-16-20)31(21-11-7-8-12-21)26(33)23-14-13-22(29-23)19-9-5-4-6-10-19/h4-6,9-10,13-18,21,24,29H,7-8,11-12H2,1-3H3,(H,30,32)
• InChIKey: RDWUWTRCMKKBIK-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.58
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide?

The IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide (CID 3862208) is N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide.

What is the SMILES notation for N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide?

The canonical SMILES for N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide is CC(C)(C)NC(=O)C(c1ccncc1)N(C(=O)c1ccc(-c2ccccc2)[nH]1)C1CCCC1.

What is the InChIKey of N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide?

The InChIKey is RDWUWTRCMKKBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-27(2,3)30-25(32)24(20-15-17-28-18-16-20)31(21-11-7-8-12-21)26(33)23-14-13-22(29-23)19-9-5-4-6-10-19/h4-6,9-10,13-18,21,24,29H,7-8,11-12H2,1-3H3,(H,30,32).

What are the key properties of N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide?

N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3862208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).