N-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methylpyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-3-carboxamide

C24H27N7O4 — CID 90192693

About N-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methylpyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-3-carboxamide

N-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methylpyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-3-carboxamide (PubChem CID 90192693) has the molecular formula C24H27N7O4 and a molecular weight of 477.53 g/mol. Its IUPAC name is N-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methylpyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methylpyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-3-carboxamide
• PubChem CID: 90192693
• Molecular Formula: C24H27N7O4
• Molecular Weight: 477.53 g/mol
• Exact Mass: 477.21
• IUPAC Name: N-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methylpyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-3-carboxamide
• SMILES: Cc1c([C@@H](O)CN2CCC(C)(CNC(=O)c3ccc(-n4cnnn4)nc3)C2)ccc2c1COC2=O
• InChI: InChI=1S/C24H27N7O4/c1-15-17(4-5-18-19(15)11-35-23(18)34)20(32)10-30-8-7-24(2,13-30)12-26-22(33)16-3-6-21(25-9-16)31-14-27-28-29-31/h3-6,9,14,20,32H,7-8,10-13H2,1-2H3,(H,26,33)/t20-,24?/m0/s1
• InChIKey: SEEKGTYUJFMKMX-QHELBMECSA-N
• XLogP: 1.21
• TPSA: 135.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.53
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methylpyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methylpyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-3-carboxamide (CID 90192693) is N-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methylpyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methylpyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methylpyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-3-carboxamide is Cc1c([C@@H](O)CN2CCC(C)(CNC(=O)c3ccc(-n4cnnn4)nc3)C2)ccc2c1COC2=O.

What is the InChIKey of N-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methylpyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-3-carboxamide?

The InChIKey is SEEKGTYUJFMKMX-QHELBMECSA-N. The full InChI is InChI=1S/C24H27N7O4/c1-15-17(4-5-18-19(15)11-35-23(18)34)20(32)10-30-8-7-24(2,13-30)12-26-22(33)16-3-6-21(25-9-16)31-14-27-28-29-31/h3-6,9,14,20,32H,7-8,10-13H2,1-2H3,(H,26,33)/t20-,24?/m0/s1.

What are the key properties of N-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methylpyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-3-carboxamide?

N-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methylpyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 477.53 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methylpyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 90192693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).