(2S)-1-[(2S)-2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]-N-[(1S)-1-[4-(1,3,5-triazin-2-yl)cyclohexa-1,5-dien-1-yl]ethyl]pyrrolidine-2-carboxamide

C24H34N8O2 — CID 170954629

IUPAC(2S)-1-[(2S)-2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]-N-[(1S)-1-[4-(1,3,5-triazin-2-yl)cyclohexa-1,5-dien-1-yl]ethyl]pyrrolidine-2-carboxamide
SMILESCC(/C=N/[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C1=CCC(c2ncncn2)C=C1)C(C)C)=N/N
InChIInChI=1S/C24H34N8O2/c1-15(2)21(27-12-16(3)31-25)24(34)32-11-5-6-20(32)23(33)30-17(4)18-7-9-19(10-8-18)22-28-13-26-14-29-22/h7-9,12-15,17,19-21H,5-6,10-11,25H2,1-4H3,(H,30,33)/b27-12+,31-16-/t17-,19?,20-,21-/m0/s1
InChIKeyYPSOIPNTSVEBIH-UYSGSCEOSA-N
MW466.59 g/mol
LogP1.77
Rot. Bonds8

About (2S)-1-[(2S)-2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]-N-[(1S)-1-[4-(1,3,5-triazin-2-yl)cyclohexa-1,5-dien-1-yl]ethyl]pyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]-N-[(1S)-1-[4-(1,3,5-triazin-2-yl)cyclohexa-1,5-dien-1-yl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 170954629) has the molecular formula C24H34N8O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]-N-[(1S)-1-[4-(1,3,5-triazin-2-yl)cyclohexa-1,5-dien-1-yl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]-N-[(1S)-1-[4-(1,3,5-triazin-2-yl)cyclohexa-1,5-dien-1-yl]ethyl]pyrrolidine-2-carboxamide
PubChem CID170954629
Molecular FormulaC24H34N8O2
Molecular Weight466.59 g/mol
Exact Mass466.28
IUPAC Name(2S)-1-[(2S)-2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]-N-[(1S)-1-[4-(1,3,5-triazin-2-yl)cyclohexa-1,5-dien-1-yl]ethyl]pyrrolidine-2-carboxamide
SMILESCC(/C=N/[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C1=CCC(c2ncncn2)C=C1)C(C)C)=N/N
InChIInChI=1S/C24H34N8O2/c1-15(2)21(27-12-16(3)31-25)24(34)32-11-5-6-20(32)23(33)30-17(4)18-7-9-19(10-8-18)22-28-13-26-14-29-22/h7-9,12-15,17,19-21H,5-6,10-11,25H2,1-4H3,(H,30,33)/b27-12+,31-16-/t17-,19?,20-,21-/m0/s1
InChIKeyYPSOIPNTSVEBIH-UYSGSCEOSA-N
XLogP1.77
TPSA138.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-[(1Z,3Z)-1,4-diamino-2-methylbuta-1,3-dienyl]phenyl]ethyl]-1-[2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 170954618
(2S)-N-[(1R)-1-[4-[(1Z,3Z)-1,4-diamino-2-methylbuta-1,3-dienyl]phenyl]-2-hydroxyethyl]-1-[(2S)-2-(2-hydrazinylidenepropylideneamino)-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 174309698
ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;methanol;N-[1-(4-pyrazin-2-ylphenyl)ethyl]formamide
CID 170955792
[(2Z)-2-hydrazinylidenepropylidene]-[3-methyl-1-oxo-1-[(2S)-2-[[(1S)-1-[4-(1,3,5-triazin-2-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]but-2-en-2-yl]azanium
CID 170954750
N-[1-[4-(2-chlorophenyl)phenyl]ethyl]-1-[2-[[(2Z)-2-hydrazinylideneethylidene]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 170955910
(2S)-1-[(2S)-2,3-dimethylbutanoyl]-N-[(3S)-2-methyl-4-oxopentan-3-yl]pyrrolidine-2-carboxamide
CID 163895120
(2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 14607704
(2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 123586300
(2S)-2-[[(2R)-1-[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
CID 67726436
(2S)-1-[(Z,2R)-5-amino-3-oxo-2-propan-2-ylpent-4-enoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 139577005
N-[1-[6-(2-methyl-1-sulfanylprop-1-enyl)-3-pyridinyl]ethyl]-1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide
CID 170181007
(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-N-[(2R)-3-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 159191538

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]-N-[(1S)-1-[4-(1,3,5-triazin-2-yl)cyclohexa-1,5-dien-1-yl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]-N-[(1S)-1-[4-(1,3,5-triazin-2-yl)cyclohexa-1,5-dien-1-yl]ethyl]pyrrolidine-2-carboxamide (CID 170954629) is (2S)-1-[(2S)-2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]-N-[(1S)-1-[4-(1,3,5-triazin-2-yl)cyclohexa-1,5-dien-1-yl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]-N-[(1S)-1-[4-(1,3,5-triazin-2-yl)cyclohexa-1,5-dien-1-yl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]-N-[(1S)-1-[4-(1,3,5-triazin-2-yl)cyclohexa-1,5-dien-1-yl]ethyl]pyrrolidine-2-carboxamide is CC(/C=N/[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C1=CCC(c2ncncn2)C=C1)C(C)C)=N/N.
What is the InChIKey of (2S)-1-[(2S)-2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]-N-[(1S)-1-[4-(1,3,5-triazin-2-yl)cyclohexa-1,5-dien-1-yl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is YPSOIPNTSVEBIH-UYSGSCEOSA-N. The full InChI is InChI=1S/C24H34N8O2/c1-15(2)21(27-12-16(3)31-25)24(34)32-11-5-6-20(32)23(33)30-17(4)18-7-9-19(10-8-18)22-28-13-26-14-29-22/h7-9,12-15,17,19-21H,5-6,10-11,25H2,1-4H3,(H,30,33)/b27-12+,31-16-/t17-,19?,20-,21-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]-N-[(1S)-1-[4-(1,3,5-triazin-2-yl)cyclohexa-1,5-dien-1-yl]ethyl]pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]-N-[(1S)-1-[4-(1,3,5-triazin-2-yl)cyclohexa-1,5-dien-1-yl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 466.59 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]-N-[(1S)-1-[4-(1,3,5-triazin-2-yl)cyclohexa-1,5-dien-1-yl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 170954629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).