N-cyclopropyl-2-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-2-oxoacetamide

C18H20N4O3 — CID 134008259

IUPACN-cyclopropyl-2-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-2-oxoacetamide
SMILESCc1ccc(C)n1-c1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1
InChIInChI=1S/C18H20N4O3/c1-11-3-4-12(2)22(11)15-9-5-13(6-10-15)16(23)20-21-18(25)17(24)19-14-7-8-14/h3-6,9-10,14H,7-8H2,1-2H3,(H,19,24)(H,20,23)(H,21,25)
InChIKeyQCAOOMOCXIBYGT-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.13
Rot. Bonds3

About N-cyclopropyl-2-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-2-oxoacetamide

N-cyclopropyl-2-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-2-oxoacetamide (PubChem CID 134008259) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-2-oxoacetamide
PubChem CID134008259
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-cyclopropyl-2-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-2-oxoacetamide
SMILESCc1ccc(C)n1-c1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1
InChIInChI=1S/C18H20N4O3/c1-11-3-4-12(2)22(11)15-9-5-13(6-10-15)16(23)20-21-18(25)17(24)19-14-7-8-14/h3-6,9-10,14H,7-8H2,1-2H3,(H,19,24)(H,20,23)(H,21,25)
InChIKeyQCAOOMOCXIBYGT-UHFFFAOYSA-N
XLogP1.13
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-acetylpiperidin-4-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 51221242
N-cyclopropyl-2-[2-(2-methyl-1-phenylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoacetamide
CID 60600851
N-cyclopropyl-2-[2-(3-methoxy-4-methylbenzoyl)hydrazinyl]-2-oxoacetamide
CID 8532471
bis[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone
CID 146425021
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7274992
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 17260334
1-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-3-(4-methylphenyl)thiourea
CID 2728279
N-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 86579706
4-(2,5-dimethylpyrrol-1-yl)-N'-[1-(1H-pyrrol-2-yl)ethenyl]benzohydrazide
CID 2348439
N-cycloheptyl-4-(3,5-dimethyl-1,2,4-triazol-4-yl)benzamide
CID 22583363
4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide
CID 30281157
4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 2576736

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-2-oxoacetamide?
The IUPAC name of N-cyclopropyl-2-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-2-oxoacetamide (CID 134008259) is N-cyclopropyl-2-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-cyclopropyl-2-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-2-oxoacetamide is Cc1ccc(C)n1-c1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-2-oxoacetamide?
The InChIKey is QCAOOMOCXIBYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-3-4-12(2)22(11)15-9-5-13(6-10-15)16(23)20-21-18(25)17(24)19-14-7-8-14/h3-6,9-10,14H,7-8H2,1-2H3,(H,19,24)(H,20,23)(H,21,25).
What are the key properties of N-cyclopropyl-2-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-2-oxoacetamide?
N-cyclopropyl-2-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-2-oxoacetamide has a molecular weight of 340.38 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 134008259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).