N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-(morpholin-4-ylmethyl)-2-oxo-1-pyridinyl]pentanamide

C66H83FN8O7 — CID 158464176

About N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-(morpholin-4-ylmethyl)-2-oxo-1-pyridinyl]pentanamide

N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-(morpholin-4-ylmethyl)-2-oxo-1-pyridinyl]pentanamide (PubChem CID 158464176) has the molecular formula C66H83FN8O7 and a molecular weight of 1119.44 g/mol. Its IUPAC name is N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-(morpholin-4-ylmethyl)-2-oxo-1-pyridinyl]pentanamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-(morpholin-4-ylmethyl)-2-oxo-1-pyridinyl]pentanamide
• PubChem CID: 158464176
• Molecular Formula: C66H83FN8O7
• Molecular Weight: 1119.44 g/mol
• Exact Mass: 1118.64
• IUPAC Name: N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-(morpholin-4-ylmethyl)-2-oxo-1-pyridinyl]pentanamide
• SMILES: CC(=O)C[C@H](NC(=O)C(CC(C)C)n1cc(CN2CCOCC2)ccc1=O)c1cncc(-c2c(C)cccc2C)c1.CC(=O)C[C@H](NC(=O)C(CC(C)C)n1cc(CN2CC[C@@H](F)C2)ccc1=O)c1cncc(-c2c(C)cccc2C)c1
• InChI: InChI=1S/C33H41FN4O3.C33H42N4O4/c1-21(2)13-30(38-19-25(9-10-31(38)40)18-37-12-11-28(34)20-37)33(41)36-29(14-24(5)39)26-15-27(17-35-16-26)32-22(3)7-6-8-23(32)4;1-22(2)15-30(37-21-26(9-10-31(37)39)20-36-11-13-41-14-12-36)33(40)35-29(16-25(5)38)27-17-28(19-34-18-27)32-23(3)7-6-8-24(32)4/h6-10,15-17,19,21,28-30H,11-14,18,20H2,1-5H3,(H,36,41);6-10,17-19,21-22,29-30H,11-16,20H2,1-5H3,(H,35,40)/t28-,29+,30?;29-,30?/m10/s1
• InChIKey: HFNWQASSHOAHJA-OUOKTBAKSA-N
• XLogP: 10.28
• TPSA: 177.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 22
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1119.44
LogP ≤ 5	10.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-(morpholin-4-ylmethyl)-2-oxo-1-pyridinyl]pentanamide?

The IUPAC name of N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-(morpholin-4-ylmethyl)-2-oxo-1-pyridinyl]pentanamide (CID 158464176) is N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-(morpholin-4-ylmethyl)-2-oxo-1-pyridinyl]pentanamide.

What is the SMILES notation for N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-(morpholin-4-ylmethyl)-2-oxo-1-pyridinyl]pentanamide?

The canonical SMILES for N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-(morpholin-4-ylmethyl)-2-oxo-1-pyridinyl]pentanamide is CC(=O)C[C@H](NC(=O)C(CC(C)C)n1cc(CN2CCOCC2)ccc1=O)c1cncc(-c2c(C)cccc2C)c1.CC(=O)C[C@H](NC(=O)C(CC(C)C)n1cc(CN2CC[C@@H](F)C2)ccc1=O)c1cncc(-c2c(C)cccc2C)c1.

What is the InChIKey of N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-(morpholin-4-ylmethyl)-2-oxo-1-pyridinyl]pentanamide?

The InChIKey is HFNWQASSHOAHJA-OUOKTBAKSA-N. The full InChI is InChI=1S/C33H41FN4O3.C33H42N4O4/c1-21(2)13-30(38-19-25(9-10-31(38)40)18-37-12-11-28(34)20-37)33(41)36-29(14-24(5)39)26-15-27(17-35-16-26)32-22(3)7-6-8-23(32)4;1-22(2)15-30(37-21-26(9-10-31(37)39)20-36-11-13-41-14-12-36)33(40)35-29(16-25(5)38)27-17-28(19-34-18-27)32-23(3)7-6-8-24(32)4/h6-10,15-17,19,21,28-30H,11-14,18,20H2,1-5H3,(H,36,41);6-10,17-19,21-22,29-30H,11-16,20H2,1-5H3,(H,35,40)/t28-,29+,30?;29-,30?/m10/s1.

What are the key properties of N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-(morpholin-4-ylmethyl)-2-oxo-1-pyridinyl]pentanamide?

N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-(morpholin-4-ylmethyl)-2-oxo-1-pyridinyl]pentanamide has a molecular weight of 1119.44 g/mol, XLogP of 10.28, 22 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-(morpholin-4-ylmethyl)-2-oxo-1-pyridinyl]pentanamide is sourced from PubChem (CID 158464176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).