N-[3-[2-amino-4-(1-ethyl-5-propanoylpyrrol-3-yl)-5-oxo-1H-imidazol-4-yl]phenyl]butanamide

C22H27N5O3 — CID 71220588

IUPACN-[3-[2-amino-4-(1-ethyl-5-propanoylpyrrol-3-yl)-5-oxo-1H-imidazol-4-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(C2(c3cc(C(=O)CC)n(CC)c3)N=C(N)NC2=O)c1
InChIInChI=1S/C22H27N5O3/c1-4-8-19(29)24-16-10-7-9-14(11-16)22(20(30)25-21(23)26-22)15-12-17(18(28)5-2)27(6-3)13-15/h7,9-13H,4-6,8H2,1-3H3,(H,24,29)(H3,23,25,26,30)
InChIKeyNZAMIZFIAYCRKZ-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.53
Rot. Bonds8

About N-[3-[2-amino-4-(1-ethyl-5-propanoylpyrrol-3-yl)-5-oxo-1H-imidazol-4-yl]phenyl]butanamide

N-[3-[2-amino-4-(1-ethyl-5-propanoylpyrrol-3-yl)-5-oxo-1H-imidazol-4-yl]phenyl]butanamide (PubChem CID 71220588) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[3-[2-amino-4-(1-ethyl-5-propanoylpyrrol-3-yl)-5-oxo-1H-imidazol-4-yl]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[2-amino-4-(1-ethyl-5-propanoylpyrrol-3-yl)-5-oxo-1H-imidazol-4-yl]phenyl]butanamide
PubChem CID71220588
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC NameN-[3-[2-amino-4-(1-ethyl-5-propanoylpyrrol-3-yl)-5-oxo-1H-imidazol-4-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(C2(c3cc(C(=O)CC)n(CC)c3)N=C(N)NC2=O)c1
InChIInChI=1S/C22H27N5O3/c1-4-8-19(29)24-16-10-7-9-14(11-16)22(20(30)25-21(23)26-22)15-12-17(18(28)5-2)27(6-3)13-15/h7,9-13H,4-6,8H2,1-3H3,(H,24,29)(H3,23,25,26,30)
InChIKeyNZAMIZFIAYCRKZ-UHFFFAOYSA-N
XLogP2.53
TPSA118.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-amino-4-(1-ethyl-5-propanoylpyrrol-3-yl)-1-methyl-5-oxoimidazol-4-yl]phenyl]butanamide;1-(3-aminophenyl)-2-(1-ethyl-5-propanoylpyrrol-3-yl)ethane-1,2-dione;butanoyl chloride;N-[3-[2-(1-ethyl-5-propanoylpyrrol-3-yl)-2-oxoacetyl]phenyl]butanamide;2-methylguanidine;hydrochloride
CID 158015463
N-[3-[2-amino-4-(1-ethyl-2-propanoyl-2,3-dihydropyrrol-4-yl)-1-methyl-5-oxoimidazol-4-yl]phenyl]butanamide
CID 67570248
N-[3-[2-amino-4-[4-(difluoromethoxy)phenyl]-1-ethyl-5-oxoimidazol-4-yl]phenyl]propanamide
CID 68792712
7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide
CID 119728470
3-chloro-N-[3-(propanoylamino)phenyl]propanamide
CID 61251232
3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide
CID 54795372
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795540
N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide
CID 19318390
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
CID 17188809
N-[3-(aminomethyl)phenyl]-3-(2-oxopyrimidin-1-yl)propanamide
CID 16787006
4-amino-1-ethyl-N-(3-iodophenyl)pyrrole-2-carboxamide
CID 43643246

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-4-(1-ethyl-5-propanoylpyrrol-3-yl)-5-oxo-1H-imidazol-4-yl]phenyl]butanamide?
The IUPAC name of N-[3-[2-amino-4-(1-ethyl-5-propanoylpyrrol-3-yl)-5-oxo-1H-imidazol-4-yl]phenyl]butanamide (CID 71220588) is N-[3-[2-amino-4-(1-ethyl-5-propanoylpyrrol-3-yl)-5-oxo-1H-imidazol-4-yl]phenyl]butanamide.
What is the SMILES notation for N-[3-[2-amino-4-(1-ethyl-5-propanoylpyrrol-3-yl)-5-oxo-1H-imidazol-4-yl]phenyl]butanamide?
The canonical SMILES for N-[3-[2-amino-4-(1-ethyl-5-propanoylpyrrol-3-yl)-5-oxo-1H-imidazol-4-yl]phenyl]butanamide is CCCC(=O)Nc1cccc(C2(c3cc(C(=O)CC)n(CC)c3)N=C(N)NC2=O)c1.
What is the InChIKey of N-[3-[2-amino-4-(1-ethyl-5-propanoylpyrrol-3-yl)-5-oxo-1H-imidazol-4-yl]phenyl]butanamide?
The InChIKey is NZAMIZFIAYCRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-4-8-19(29)24-16-10-7-9-14(11-16)22(20(30)25-21(23)26-22)15-12-17(18(28)5-2)27(6-3)13-15/h7,9-13H,4-6,8H2,1-3H3,(H,24,29)(H3,23,25,26,30).
What are the key properties of N-[3-[2-amino-4-(1-ethyl-5-propanoylpyrrol-3-yl)-5-oxo-1H-imidazol-4-yl]phenyl]butanamide?
N-[3-[2-amino-4-(1-ethyl-5-propanoylpyrrol-3-yl)-5-oxo-1H-imidazol-4-yl]phenyl]butanamide has a molecular weight of 409.49 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-4-(1-ethyl-5-propanoylpyrrol-3-yl)-5-oxo-1H-imidazol-4-yl]phenyl]butanamide is sourced from PubChem (CID 71220588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).