3-(3-but-3-ynyldiazirin-3-yl)-N-cyclopropyl-N-[(3-pyridin-3-ylphenyl)methyl]propanamide

C23H24N4O — CID 166409284

IUPAC3-(3-but-3-ynyldiazirin-3-yl)-N-cyclopropyl-N-[(3-pyridin-3-ylphenyl)methyl]propanamide
SMILESC#CCCC1(CCC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)N=N1
InChIInChI=1S/C23H24N4O/c1-2-3-12-23(25-26-23)13-11-22(28)27(21-9-10-21)17-18-6-4-7-19(15-18)20-8-5-14-24-16-20/h1,4-8,14-16,21H,3,9-13,17H2
InChIKeySKUWJCYXFPQENY-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.60
Rot. Bonds9

About 3-(3-but-3-ynyldiazirin-3-yl)-N-cyclopropyl-N-[(3-pyridin-3-ylphenyl)methyl]propanamide

3-(3-but-3-ynyldiazirin-3-yl)-N-cyclopropyl-N-[(3-pyridin-3-ylphenyl)methyl]propanamide (PubChem CID 166409284) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-(3-but-3-ynyldiazirin-3-yl)-N-cyclopropyl-N-[(3-pyridin-3-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-but-3-ynyldiazirin-3-yl)-N-cyclopropyl-N-[(3-pyridin-3-ylphenyl)methyl]propanamide
PubChem CID166409284
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name3-(3-but-3-ynyldiazirin-3-yl)-N-cyclopropyl-N-[(3-pyridin-3-ylphenyl)methyl]propanamide
SMILESC#CCCC1(CCC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)N=N1
InChIInChI=1S/C23H24N4O/c1-2-3-12-23(25-26-23)13-11-22(28)27(21-9-10-21)17-18-6-4-7-19(15-18)20-8-5-14-24-16-20/h1,4-8,14-16,21H,3,9-13,17H2
InChIKeySKUWJCYXFPQENY-UHFFFAOYSA-N
XLogP4.60
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-(3-but-3-ynyldiazirin-3-yl)-N-cyclopropyl-N-[(3-pyridin-3-ylphenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[cyclopropyl-[(3-pyridin-3-ylphenyl)methyl]amino]-2-methyl-3-oxopropanoic acid
CID 122066362
N-cyclopropyl-2-hydroxy-N-[(3-pyridin-3-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 110016422
4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
CID 54869888
3-(3-but-3-ynyldiazirin-3-yl)-N-[[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]methyl]propanamide
CID 166417741
3-(3-but-3-ynyldiazirin-3-yl)-N-[3-oxo-3-(pyridin-3-ylamino)propyl]propanamide
CID 166417757
N-cyclopropyl-4-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 119064910
1-(3-but-3-ynyldiazirin-3-yl)-5-(4-phenylphenyl)pentan-3-one
CID 161409109
N-cyclopropyl-2-(cyclopropylmethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 54869938
N-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 51207321
2-anilino-N-cyclopropyl-N-(pyridin-3-ylmethyl)acetamide
CID 60937842
N,2-dimethyl-3-[methyl-[(3-pyridin-3-ylphenyl)methyl]amino]propanamide
CID 75439559
N-[6-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 167924727

Frequently Asked Questions

What is the IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-cyclopropyl-N-[(3-pyridin-3-ylphenyl)methyl]propanamide?
The IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-cyclopropyl-N-[(3-pyridin-3-ylphenyl)methyl]propanamide (CID 166409284) is 3-(3-but-3-ynyldiazirin-3-yl)-N-cyclopropyl-N-[(3-pyridin-3-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-but-3-ynyldiazirin-3-yl)-N-cyclopropyl-N-[(3-pyridin-3-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-(3-but-3-ynyldiazirin-3-yl)-N-cyclopropyl-N-[(3-pyridin-3-ylphenyl)methyl]propanamide is C#CCCC1(CCC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)N=N1.
What is the InChIKey of 3-(3-but-3-ynyldiazirin-3-yl)-N-cyclopropyl-N-[(3-pyridin-3-ylphenyl)methyl]propanamide?
The InChIKey is SKUWJCYXFPQENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-2-3-12-23(25-26-23)13-11-22(28)27(21-9-10-21)17-18-6-4-7-19(15-18)20-8-5-14-24-16-20/h1,4-8,14-16,21H,3,9-13,17H2.
What are the key properties of 3-(3-but-3-ynyldiazirin-3-yl)-N-cyclopropyl-N-[(3-pyridin-3-ylphenyl)methyl]propanamide?
3-(3-but-3-ynyldiazirin-3-yl)-N-cyclopropyl-N-[(3-pyridin-3-ylphenyl)methyl]propanamide has a molecular weight of 372.47 g/mol, XLogP of 4.60, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-but-3-ynyldiazirin-3-yl)-N-cyclopropyl-N-[(3-pyridin-3-ylphenyl)methyl]propanamide is sourced from PubChem (CID 166409284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).