3-(3-but-3-ynyldiazirin-3-yl)-N-propan-2-yl-N-[(2-pyridin-2-ylphenyl)methyl]propanamide

C23H26N4O — CID 154783646

IUPAC3-(3-but-3-ynyldiazirin-3-yl)-N-propan-2-yl-N-[(2-pyridin-2-ylphenyl)methyl]propanamide
SMILESC#CCCC1(CCC(=O)N(Cc2ccccc2-c2ccccn2)C(C)C)N=N1
InChIInChI=1S/C23H26N4O/c1-4-5-14-23(25-26-23)15-13-22(28)27(18(2)3)17-19-10-6-7-11-20(19)21-12-8-9-16-24-21/h1,6-12,16,18H,5,13-15,17H2,2-3H3
InChIKeyVBRSAIHWNAIREH-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.84
Rot. Bonds9

About 3-(3-but-3-ynyldiazirin-3-yl)-N-propan-2-yl-N-[(2-pyridin-2-ylphenyl)methyl]propanamide

3-(3-but-3-ynyldiazirin-3-yl)-N-propan-2-yl-N-[(2-pyridin-2-ylphenyl)methyl]propanamide (PubChem CID 154783646) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-(3-but-3-ynyldiazirin-3-yl)-N-propan-2-yl-N-[(2-pyridin-2-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-but-3-ynyldiazirin-3-yl)-N-propan-2-yl-N-[(2-pyridin-2-ylphenyl)methyl]propanamide
PubChem CID154783646
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name3-(3-but-3-ynyldiazirin-3-yl)-N-propan-2-yl-N-[(2-pyridin-2-ylphenyl)methyl]propanamide
SMILESC#CCCC1(CCC(=O)N(Cc2ccccc2-c2ccccn2)C(C)C)N=N1
InChIInChI=1S/C23H26N4O/c1-4-5-14-23(25-26-23)15-13-22(28)27(18(2)3)17-19-10-6-7-11-20(19)21-12-8-9-16-24-21/h1,6-12,16,18H,5,13-15,17H2,2-3H3
InChIKeyVBRSAIHWNAIREH-UHFFFAOYSA-N
XLogP4.84
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-but-3-ynyldiazirin-3-yl)-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)propanamide
CID 166417896
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-fluoro-2-pyridinyl)propanamide
CID 167941512
2-(2-pyridin-2-ylphenyl)acetonitrile
CID 53446408
1-phenyl-2-(2-pyridin-2-ylphenyl)ethanone
CID 138970108
3-(3-but-3-ynyldiazirin-3-yl)-N-(isoquinolin-1-ylmethyl)propanamide
CID 166417625
5-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide
CID 107909493
1-cyclohexyl-3-(2-pyridin-2-ylphenyl)propan-1-one
CID 72723755
methyl 2-[[2-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl-methylamino]acetyl]amino]benzoate
CID 166423261
1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]-3-pyridin-2-ylpiperidine-3-carbonitrile
CID 146149806
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-pyridin-2-yloxyphenoxy)acetamide
CID 166416421
1-(3-but-3-ynyldiazirin-3-yl)-5-(4-phenylphenyl)pentan-3-one
CID 161409109
1-(3-methylphenyl)-2-(2-pyridin-2-ylphenyl)ethanone
CID 153405908

Frequently Asked Questions

What is the IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-propan-2-yl-N-[(2-pyridin-2-ylphenyl)methyl]propanamide?
The IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-propan-2-yl-N-[(2-pyridin-2-ylphenyl)methyl]propanamide (CID 154783646) is 3-(3-but-3-ynyldiazirin-3-yl)-N-propan-2-yl-N-[(2-pyridin-2-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-but-3-ynyldiazirin-3-yl)-N-propan-2-yl-N-[(2-pyridin-2-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-(3-but-3-ynyldiazirin-3-yl)-N-propan-2-yl-N-[(2-pyridin-2-ylphenyl)methyl]propanamide is C#CCCC1(CCC(=O)N(Cc2ccccc2-c2ccccn2)C(C)C)N=N1.
What is the InChIKey of 3-(3-but-3-ynyldiazirin-3-yl)-N-propan-2-yl-N-[(2-pyridin-2-ylphenyl)methyl]propanamide?
The InChIKey is VBRSAIHWNAIREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-4-5-14-23(25-26-23)15-13-22(28)27(18(2)3)17-19-10-6-7-11-20(19)21-12-8-9-16-24-21/h1,6-12,16,18H,5,13-15,17H2,2-3H3.
What are the key properties of 3-(3-but-3-ynyldiazirin-3-yl)-N-propan-2-yl-N-[(2-pyridin-2-ylphenyl)methyl]propanamide?
3-(3-but-3-ynyldiazirin-3-yl)-N-propan-2-yl-N-[(2-pyridin-2-ylphenyl)methyl]propanamide has a molecular weight of 374.49 g/mol, XLogP of 4.84, 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-propan-2-yl-N-[(2-pyridin-2-ylphenyl)methyl]propanamide is sourced from PubChem (CID 154783646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).