1-[2-[[1-[(Z)-1-amino-2-hydrazinylethenyl]cyclopropyl]amino]-2-oxoacetyl]-N-(3-cyanophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;ethane

C25H31N7O3 — CID 142295116

IUPAC1-[2-[[1-[(Z)-1-amino-2-hydrazinylethenyl]cyclopropyl]amino]-2-oxoacetyl]-N-(3-cyanophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;ethane
SMILESCC.Cc1c(C(=O)C(=O)NC2(/C(N)=C/NN)CC2)c2n(c1C(=O)Nc1cccc(C#N)c1)CCC2
InChIInChI=1S/C23H25N7O3.C2H6/c1-13-18(20(31)22(33)29-23(7-8-23)17(25)12-27-26)16-6-3-9-30(16)19(13)21(32)28-15-5-2-4-14(10-15)11-24;1-2/h2,4-5,10,12,27H,3,6-9,25-26H2,1H3,(H,28,32)(H,29,33);1-2H3/b17-12-;
InChIKeyAKCBRUAZZKOMSV-HBPAQXCTSA-N
MW477.57 g/mol
LogP1.99
Rot. Bonds7

About 1-[2-[[1-[(Z)-1-amino-2-hydrazinylethenyl]cyclopropyl]amino]-2-oxoacetyl]-N-(3-cyanophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;ethane

1-[2-[[1-[(Z)-1-amino-2-hydrazinylethenyl]cyclopropyl]amino]-2-oxoacetyl]-N-(3-cyanophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;ethane (PubChem CID 142295116) has the molecular formula C25H31N7O3 and a molecular weight of 477.57 g/mol. Its IUPAC name is 1-[2-[[1-[(Z)-1-amino-2-hydrazinylethenyl]cyclopropyl]amino]-2-oxoacetyl]-N-(3-cyanophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;ethane.

Molecular Properties

Compound Name1-[2-[[1-[(Z)-1-amino-2-hydrazinylethenyl]cyclopropyl]amino]-2-oxoacetyl]-N-(3-cyanophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;ethane
PubChem CID142295116
Molecular FormulaC25H31N7O3
Molecular Weight477.57 g/mol
Exact Mass477.25
IUPAC Name1-[2-[[1-[(Z)-1-amino-2-hydrazinylethenyl]cyclopropyl]amino]-2-oxoacetyl]-N-(3-cyanophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;ethane
SMILESCC.Cc1c(C(=O)C(=O)NC2(/C(N)=C/NN)CC2)c2n(c1C(=O)Nc1cccc(C#N)c1)CCC2
InChIInChI=1S/C23H25N7O3.C2H6/c1-13-18(20(31)22(33)29-23(7-8-23)17(25)12-27-26)16-6-3-9-30(16)19(13)21(32)28-15-5-2-4-14(10-15)11-24;1-2/h2,4-5,10,12,27H,3,6-9,25-26H2,1H3,(H,28,32)(H,29,33);1-2H3/b17-12-;
InChIKeyAKCBRUAZZKOMSV-HBPAQXCTSA-N
XLogP1.99
TPSA168.06 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 51.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[[1-[(Z)-1-amino-2-(methylamino)ethenyl]cyclopropyl]amino]-2-oxoacetyl]-N-(3-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 170361924
N-(3-fluorophenyl)-2-methyl-1-[2-[(1-methylcyclopropyl)amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 134303099
1-[2-[[1-[(Z)-2-amino-1-(methylamino)ethenyl]cyclopropyl]amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 170360502
N-(3-cyano-5-fluorophenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 134285299
3-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide
CID 139507448
N-(3-chloro-4-fluorophenyl)-1-[2-[[1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]cyclopropyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 142295162
N-(3-cyano-4-fluorophenyl)-2-methyl-1-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 155177178
1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;methane
CID 159074442
3-[1-cyclobutylidene-2-[[3,3-difluoro-1-[(E)-1-hydrazinyl-3-methylpent-1-en-2-yl]cyclobutyl]amino]-2-oxoethyl]-N-(3,4-difluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide
CID 170196567
N-(3-chloro-4-methylphenyl)-1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 159924693
N-(3-ethynyl-5-fluorophenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 134599097
N-(3-chloro-4-fluorophenyl)-1-[2-(4-cyanobut-1-en-2-ylamino)-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 134605009

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-[(Z)-1-amino-2-hydrazinylethenyl]cyclopropyl]amino]-2-oxoacetyl]-N-(3-cyanophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;ethane?
The IUPAC name of 1-[2-[[1-[(Z)-1-amino-2-hydrazinylethenyl]cyclopropyl]amino]-2-oxoacetyl]-N-(3-cyanophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;ethane (CID 142295116) is 1-[2-[[1-[(Z)-1-amino-2-hydrazinylethenyl]cyclopropyl]amino]-2-oxoacetyl]-N-(3-cyanophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;ethane.
What is the SMILES notation for 1-[2-[[1-[(Z)-1-amino-2-hydrazinylethenyl]cyclopropyl]amino]-2-oxoacetyl]-N-(3-cyanophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;ethane?
The canonical SMILES for 1-[2-[[1-[(Z)-1-amino-2-hydrazinylethenyl]cyclopropyl]amino]-2-oxoacetyl]-N-(3-cyanophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;ethane is CC.Cc1c(C(=O)C(=O)NC2(/C(N)=C/NN)CC2)c2n(c1C(=O)Nc1cccc(C#N)c1)CCC2.
What is the InChIKey of 1-[2-[[1-[(Z)-1-amino-2-hydrazinylethenyl]cyclopropyl]amino]-2-oxoacetyl]-N-(3-cyanophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;ethane?
The InChIKey is AKCBRUAZZKOMSV-HBPAQXCTSA-N. The full InChI is InChI=1S/C23H25N7O3.C2H6/c1-13-18(20(31)22(33)29-23(7-8-23)17(25)12-27-26)16-6-3-9-30(16)19(13)21(32)28-15-5-2-4-14(10-15)11-24;1-2/h2,4-5,10,12,27H,3,6-9,25-26H2,1H3,(H,28,32)(H,29,33);1-2H3/b17-12-;.
What are the key properties of 1-[2-[[1-[(Z)-1-amino-2-hydrazinylethenyl]cyclopropyl]amino]-2-oxoacetyl]-N-(3-cyanophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;ethane?
1-[2-[[1-[(Z)-1-amino-2-hydrazinylethenyl]cyclopropyl]amino]-2-oxoacetyl]-N-(3-cyanophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;ethane has a molecular weight of 477.57 g/mol, XLogP of 1.99, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-[(Z)-1-amino-2-hydrazinylethenyl]cyclopropyl]amino]-2-oxoacetyl]-N-(3-cyanophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;ethane is sourced from PubChem (CID 142295116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).