methyl 1-[4-[(3-methoxyphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate

C24H28N6O6 — CID 3392258

IUPACmethyl 1-[4-[(3-methoxyphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C1CC(NC(=O)Nc2cccc(OC)c2)CN1C(=O)c1cnccn1
InChIInChI=1S/C24H28N6O6/c1-35-17-6-3-5-15(11-17)27-24(34)28-16-12-20(22(32)29-10-4-7-19(29)23(33)36-2)30(14-16)21(31)18-13-25-8-9-26-18/h3,5-6,8-9,11,13,16,19-20H,4,7,10,12,14H2,1-2H3,(H2,27,28,34)
InChIKeyGWWDLFFRAOVFMA-UHFFFAOYSA-N
MW496.52 g/mol
LogP1.05
Rot. Bonds6

About methyl 1-[4-[(3-methoxyphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate

methyl 1-[4-[(3-methoxyphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate (PubChem CID 3392258) has the molecular formula C24H28N6O6 and a molecular weight of 496.52 g/mol. Its IUPAC name is methyl 1-[4-[(3-methoxyphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-[(3-methoxyphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
PubChem CID3392258
Molecular FormulaC24H28N6O6
Molecular Weight496.52 g/mol
Exact Mass496.21
IUPAC Namemethyl 1-[4-[(3-methoxyphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C1CC(NC(=O)Nc2cccc(OC)c2)CN1C(=O)c1cnccn1
InChIInChI=1S/C24H28N6O6/c1-35-17-6-3-5-15(11-17)27-24(34)28-16-12-20(22(32)29-10-4-7-19(29)23(33)36-2)30(14-16)21(31)18-13-25-8-9-26-18/h3,5-6,8-9,11,13,16,19-20H,4,7,10,12,14H2,1-2H3,(H2,27,28,34)
InChIKeyGWWDLFFRAOVFMA-UHFFFAOYSA-N
XLogP1.05
TPSA143.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.52
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 1-[4-[(3-methoxyphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate with MolForge

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Related Compounds

methyl (2R)-1-[(2S,4S)-4-(propan-2-ylcarbamoylamino)-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 26763142
methyl (2R)-1-[(2S,4S)-1-(2-methylsulfanylacetyl)-4-[(3-methylsulfanylphenyl)carbamoylamino]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 7127923
1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea
CID 10295162
methyl (2R)-1-(pyrazine-2-carbonyl)piperidine-2-carboxylate
CID 79833939
methyl (2R)-1-[(3-methoxyphenyl)carbamoyl]piperidine-2-carboxylate
CID 115536153
1-(3-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 71992926
1-(3-methoxyphenyl)-3-(1-methylsulfanylpiperidin-3-yl)urea
CID 91161259
1-N-(3-methoxyphenyl)-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide
CID 78524400
(2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1433458
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
(2R)-N-[3-(3-methylphenyl)phenyl]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide
CID 42461345

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-[(3-methoxyphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[4-[(3-methoxyphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate (CID 3392258) is methyl 1-[4-[(3-methoxyphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[4-[(3-methoxyphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[4-[(3-methoxyphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)C1CC(NC(=O)Nc2cccc(OC)c2)CN1C(=O)c1cnccn1.
What is the InChIKey of methyl 1-[4-[(3-methoxyphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate?
The InChIKey is GWWDLFFRAOVFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O6/c1-35-17-6-3-5-15(11-17)27-24(34)28-16-12-20(22(32)29-10-4-7-19(29)23(33)36-2)30(14-16)21(31)18-13-25-8-9-26-18/h3,5-6,8-9,11,13,16,19-20H,4,7,10,12,14H2,1-2H3,(H2,27,28,34).
What are the key properties of methyl 1-[4-[(3-methoxyphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate?
methyl 1-[4-[(3-methoxyphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate has a molecular weight of 496.52 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-[(3-methoxyphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 3392258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).