N-[2-[[1-[(3R)-2-carbamoyl-3-cyclohexylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide

C24H36N6O4 — CID 142953194

About N-[2-[[1-[(3R)-2-carbamoyl-3-cyclohexylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide

N-[2-[[1-[(3R)-2-carbamoyl-3-cyclohexylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide (PubChem CID 142953194) has the molecular formula C24H36N6O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[2-[[1-[(3R)-2-carbamoyl-3-cyclohexylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[1-[(3R)-2-carbamoyl-3-cyclohexylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
• PubChem CID: 142953194
• Molecular Formula: C24H36N6O4
• Molecular Weight: 472.59 g/mol
• Exact Mass: 472.28
• IUPAC Name: N-[2-[[1-[(3R)-2-carbamoyl-3-cyclohexylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
• SMILES: CC(C)(C)C(NC(=O)CNC(=O)c1cnccn1)C(=O)N1CC[C@H](C2CCCCC2)C1C(N)=O
• InChI: InChI=1S/C24H36N6O4/c1-24(2,3)20(29-18(31)14-28-22(33)17-13-26-10-11-27-17)23(34)30-12-9-16(19(30)21(25)32)15-7-5-4-6-8-15/h10-11,13,15-16,19-20H,4-9,12,14H2,1-3H3,(H2,25,32)(H,28,33)(H,29,31)/t16-,19?,20?/m1/s1
• InChIKey: UMVWXOSLSSGFMZ-PBPGXSGUSA-N
• XLogP: 1.02
• TPSA: 147.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.59
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[(3R)-2-carbamoyl-3-cyclohexylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide?

The IUPAC name of N-[2-[[1-[(3R)-2-carbamoyl-3-cyclohexylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide (CID 142953194) is N-[2-[[1-[(3R)-2-carbamoyl-3-cyclohexylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[2-[[1-[(3R)-2-carbamoyl-3-cyclohexylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide?

The canonical SMILES for N-[2-[[1-[(3R)-2-carbamoyl-3-cyclohexylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide is CC(C)(C)C(NC(=O)CNC(=O)c1cnccn1)C(=O)N1CC[C@H](C2CCCCC2)C1C(N)=O.

What is the InChIKey of N-[2-[[1-[(3R)-2-carbamoyl-3-cyclohexylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide?

The InChIKey is UMVWXOSLSSGFMZ-PBPGXSGUSA-N. The full InChI is InChI=1S/C24H36N6O4/c1-24(2,3)20(29-18(31)14-28-22(33)17-13-26-10-11-27-17)23(34)30-12-9-16(19(30)21(25)32)15-7-5-4-6-8-15/h10-11,13,15-16,19-20H,4-9,12,14H2,1-3H3,(H2,25,32)(H,28,33)(H,29,31)/t16-,19?,20?/m1/s1.

What are the key properties of N-[2-[[1-[(3R)-2-carbamoyl-3-cyclohexylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide?

N-[2-[[1-[(3R)-2-carbamoyl-3-cyclohexylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[1-[(3R)-2-carbamoyl-3-cyclohexylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 142953194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).