3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide

C15H23N3O2 — CID 113116146

IUPAC3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCCC(C)N(CCC(=O)NCc1cccnc1)C(C)=O
InChIInChI=1S/C15H23N3O2/c1-4-12(2)18(13(3)19)9-7-15(20)17-11-14-6-5-8-16-10-14/h5-6,8,10,12H,4,7,9,11H2,1-3H3,(H,17,20)
InChIKeyJVJACOHCMWOETL-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.73
Rot. Bonds7

About 3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide

3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 113116146) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID113116146
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCCC(C)N(CCC(=O)NCc1cccnc1)C(C)=O
InChIInChI=1S/C15H23N3O2/c1-4-12(2)18(13(3)19)9-7-15(20)17-11-14-6-5-8-16-10-14/h5-6,8,10,12H,4,7,9,11H2,1-3H3,(H,17,20)
InChIKeyJVJACOHCMWOETL-UHFFFAOYSA-N
XLogP1.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dipropylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023509
3-(N-acetyl-4-ethylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113125365
3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
CID 61199983
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 113138115
3-(N-acetyl-2-ethyl-6-methylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113125538
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113160421
3-(N-acetyl-2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113134300
ethyl 4-[acetyl-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate
CID 113122149
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
2-[acetyl(butan-2-yl)amino]-N-benzylacetamide
CID 113159031
3-[4-(dimethylamino)anilino]-N-(pyridin-3-ylmethyl)propanamide
CID 109023573
3-[acetyl(butan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113116141

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide (CID 113116146) is 3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide is CCC(C)N(CCC(=O)NCc1cccnc1)C(C)=O.
What is the InChIKey of 3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is JVJACOHCMWOETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-12(2)18(13(3)19)9-7-15(20)17-11-14-6-5-8-16-10-14/h5-6,8,10,12H,4,7,9,11H2,1-3H3,(H,17,20).
What are the key properties of 3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide?
3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 113116146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).