N-[2-[[1-[(2S,3S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-ethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide

About N-[2-[[1-[(2S,3S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-ethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide

N-[2-[[1-[(2S,3S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-ethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide (PubChem CID 142953207) has the molecular formula C29H43N7O6 and a molecular weight of 585.71 g/mol. Its IUPAC name is N-[2-[[1-[(2S,3S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-ethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name	N-[2-[[1-[(2S,3S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-ethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
PubChem CID	142953207
Molecular Formula	C29H43N7O6
Molecular Weight	585.71 g/mol
Exact Mass	585.33
IUPAC Name	N-[2-[[1-[(2S,3S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-ethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
SMILES	CCCC(NC(=O)[C@@H]1[C@@H](CC)CCN1C(=O)C(NC(=O)CNC(=O)c1cnccn1)C(C)(C)C)C(=O)C(=O)NC1CC1
InChI	InChI=1S/C29H43N7O6/c1-6-8-19(23(38)27(41)33-18-9-10-18)34-26(40)22-17(7-2)11-14-36(22)28(42)24(29(3,4)5)35-21(37)16-32-25(39)20-15-30-12-13-31-20/h12-13,15,17-19,22,24H,6-11,14,16H2,1-5H3,(H,32,39)(H,33,41)(H,34,40)(H,35,37)/t17-,19?,22-,24?/m0/s1
InChIKey	PRTBGBFYQCXPBO-XGOQUTDXSA-N
XLogP	0.50
TPSA	179.56 Å²
H-Bond Donors	4
H-Bond Acceptors	8
Rotatable Bonds	13
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.71
LogP ≤ 5	0.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

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

The IUPAC name of N-[2-[[1-[(2S,3S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-ethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide (CID 142953207) is N-[2-[[1-[(2S,3S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-ethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide.

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

The canonical SMILES for N-[2-[[1-[(2S,3S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-ethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide is CCCC(NC(=O)[C@@H]1[C@@H](CC)CCN1C(=O)C(NC(=O)CNC(=O)c1cnccn1)C(C)(C)C)C(=O)C(=O)NC1CC1.

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

The InChIKey is PRTBGBFYQCXPBO-XGOQUTDXSA-N. The full InChI is InChI=1S/C29H43N7O6/c1-6-8-19(23(38)27(41)33-18-9-10-18)34-26(40)22-17(7-2)11-14-36(22)28(42)24(29(3,4)5)35-21(37)16-32-25(39)20-15-30-12-13-31-20/h12-13,15,17-19,22,24H,6-11,14,16H2,1-5H3,(H,32,39)(H,33,41)(H,34,40)(H,35,37)/t17-,19?,22-,24?/m0/s1.

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

N-[2-[[1-[(2S,3S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-ethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide has a molecular weight of 585.71 g/mol, XLogP of 0.50, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[1-[(2S,3S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-ethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 142953207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).