N-(3-fluorophenyl)-2-methyl-1-[2-[(1-methylcyclopropyl)amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide

C21H22FN3O3 — CID 134303099

IUPACN-(3-fluorophenyl)-2-methyl-1-[2-[(1-methylcyclopropyl)amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
SMILESCc1c(C(=O)C(=O)NC2(C)CC2)c2n(c1C(=O)Nc1cccc(F)c1)CCC2
InChIInChI=1S/C21H22FN3O3/c1-12-16(18(26)20(28)24-21(2)8-9-21)15-7-4-10-25(15)17(12)19(27)23-14-6-3-5-13(22)11-14/h3,5-6,11H,4,7-10H2,1-2H3,(H,23,27)(H,24,28)
InChIKeySWJKDRLUSNURAJ-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.99
Rot. Bonds5

About N-(3-fluorophenyl)-2-methyl-1-[2-[(1-methylcyclopropyl)amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide

N-(3-fluorophenyl)-2-methyl-1-[2-[(1-methylcyclopropyl)amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide (PubChem CID 134303099) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-methyl-1-[2-[(1-methylcyclopropyl)amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-methyl-1-[2-[(1-methylcyclopropyl)amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
PubChem CID134303099
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC NameN-(3-fluorophenyl)-2-methyl-1-[2-[(1-methylcyclopropyl)amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
SMILESCc1c(C(=O)C(=O)NC2(C)CC2)c2n(c1C(=O)Nc1cccc(F)c1)CCC2
InChIInChI=1S/C21H22FN3O3/c1-12-16(18(26)20(28)24-21(2)8-9-21)15-7-4-10-25(15)17(12)19(27)23-14-6-3-5-13(22)11-14/h3,5-6,11H,4,7-10H2,1-2H3,(H,23,27)(H,24,28)
InChIKeySWJKDRLUSNURAJ-UHFFFAOYSA-N
XLogP2.99
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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
1-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 134285261
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-chloro-4-fluorophenyl)-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 134285185
N-(3-chloro-4-fluorophenyl)-1-[2-[[1-[(1,1-dihydroxy-3-methylthietan-3-yl)carbamoyl]-3,3-difluorocyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 134285223
N-(3,4-difluorophenyl)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 134599126
N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-[[1-(3-methyl-1,2-dihydrotriazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 163704950
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
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-fluoro-4-methylphenyl)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 134599081
N-(3-cyano-4-fluorophenyl)-2-methyl-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 155190852
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

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-methyl-1-[2-[(1-methylcyclopropyl)amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-methyl-1-[2-[(1-methylcyclopropyl)amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide (CID 134303099) is N-(3-fluorophenyl)-2-methyl-1-[2-[(1-methylcyclopropyl)amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-methyl-1-[2-[(1-methylcyclopropyl)amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-methyl-1-[2-[(1-methylcyclopropyl)amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide is Cc1c(C(=O)C(=O)NC2(C)CC2)c2n(c1C(=O)Nc1cccc(F)c1)CCC2.
What is the InChIKey of N-(3-fluorophenyl)-2-methyl-1-[2-[(1-methylcyclopropyl)amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The InChIKey is SWJKDRLUSNURAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-12-16(18(26)20(28)24-21(2)8-9-21)15-7-4-10-25(15)17(12)19(27)23-14-6-3-5-13(22)11-14/h3,5-6,11H,4,7-10H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-(3-fluorophenyl)-2-methyl-1-[2-[(1-methylcyclopropyl)amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
N-(3-fluorophenyl)-2-methyl-1-[2-[(1-methylcyclopropyl)amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-methyl-1-[2-[(1-methylcyclopropyl)amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide is sourced from PubChem (CID 134303099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).