5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-1H-pyrrole-2-carboxamide

C17H25N5O2 — CID 176993838

IUPAC5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-1H-pyrrole-2-carboxamide
SMILESC/C(N)=C/c1cc(C(=O)NCC(=O)N2CCC3(CC2)CC3)[nH]c1N
InChIInChI=1S/C17H25N5O2/c1-11(18)8-12-9-13(21-15(12)19)16(24)20-10-14(23)22-6-4-17(2-3-17)5-7-22/h8-9,21H,2-7,10,18-19H2,1H3,(H,20,24)/b11-8-
InChIKeyIIMXEAZUVGWPPB-FLIBITNWSA-N
MW331.42 g/mol
LogP1.05
Rot. Bonds4

About 5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-1H-pyrrole-2-carboxamide

5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-1H-pyrrole-2-carboxamide (PubChem CID 176993838) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-1H-pyrrole-2-carboxamide
PubChem CID176993838
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-1H-pyrrole-2-carboxamide
SMILESC/C(N)=C/c1cc(C(=O)NCC(=O)N2CCC3(CC2)CC3)[nH]c1N
InChIInChI=1S/C17H25N5O2/c1-11(18)8-12-9-13(21-15(12)19)16(24)20-10-14(23)22-6-4-17(2-3-17)5-7-22/h8-9,21H,2-7,10,18-19H2,1H3,(H,20,24)/b11-8-
InChIKeyIIMXEAZUVGWPPB-FLIBITNWSA-N
XLogP1.05
TPSA117.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane
CID 176993954
N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 176993906
4-[(E)-2-chloroprop-1-enyl]-N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-5-ethenyl-1H-pyrrole-2-carboxamide
CID 142971401
1-(6-azaspiro[2.5]octan-6-yl)-2-(methylamino)ethanone
CID 131089762
1-(6-azaspiro[2.5]octan-6-yl)-2-(methylamino)ethanone;hydrochloride
CID 131089761
1-[2-(1H-indole-2-carbonylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257010
6-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyridine-2-carboxamide
CID 107261944
N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-4-(2-cyanophenyl)benzamide
CID 171631086
N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]pyridine-3-carboxamide;cyclopropylbenzene
CID 171631390
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-fluorobenzamide
CID 43057717
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide
CID 162364764
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide
CID 51161836

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-1H-pyrrole-2-carboxamide (CID 176993838) is 5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-1H-pyrrole-2-carboxamide is C/C(N)=C/c1cc(C(=O)NCC(=O)N2CCC3(CC2)CC3)[nH]c1N.
What is the InChIKey of 5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is IIMXEAZUVGWPPB-FLIBITNWSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-11(18)8-12-9-13(21-15(12)19)16(24)20-10-14(23)22-6-4-17(2-3-17)5-7-22/h8-9,21H,2-7,10,18-19H2,1H3,(H,20,24)/b11-8-.
What are the key properties of 5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-1H-pyrrole-2-carboxamide?
5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.05, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 176993838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).