N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pyrazine-2-carboxamide

C20H31N5O3 — CID 70340110

About N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pyrazine-2-carboxamide

N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pyrazine-2-carboxamide (PubChem CID 70340110) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pyrazine-2-carboxamide
• PubChem CID: 70340110
• Molecular Formula: C20H31N5O3
• Molecular Weight: 389.50 g/mol
• Exact Mass: 389.24
• IUPAC Name: N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pyrazine-2-carboxamide
• SMILES: CC(C)[C@H](NC(=O)c1cnccn1)C(=O)N[C@H](C(=O)N1CC[C@H](C)C1)C(C)C
• InChI: InChI=1S/C20H31N5O3/c1-12(2)16(23-18(26)15-10-21-7-8-22-15)19(27)24-17(13(3)4)20(28)25-9-6-14(5)11-25/h7-8,10,12-14,16-17H,6,9,11H2,1-5H3,(H,23,26)(H,24,27)/t14-,16-,17-/m0/s1
• InChIKey: AXWUNVMDQPBTTP-XIRDDKMYSA-N
• XLogP: 1.24
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.50
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pyrazine-2-carboxamide?

The IUPAC name of N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pyrazine-2-carboxamide (CID 70340110) is N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pyrazine-2-carboxamide is CC(C)[C@H](NC(=O)c1cnccn1)C(=O)N[C@H](C(=O)N1CC[C@H](C)C1)C(C)C.

What is the InChIKey of N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pyrazine-2-carboxamide?

The InChIKey is AXWUNVMDQPBTTP-XIRDDKMYSA-N. The full InChI is InChI=1S/C20H31N5O3/c1-12(2)16(23-18(26)15-10-21-7-8-22-15)19(27)24-17(13(3)4)20(28)25-9-6-14(5)11-25/h7-8,10,12-14,16-17H,6,9,11H2,1-5H3,(H,23,26)(H,24,27)/t14-,16-,17-/m0/s1.

What are the key properties of N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pyrazine-2-carboxamide?

N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pyrazine-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 70340110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).