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

C15H23N3O2 — CID 113115749

IUPAC3-[acetyl(butyl)amino]-N-(pyridin-2-ylmethyl)propanamide
SMILESCCCCN(CCC(=O)NCc1ccccn1)C(C)=O
InChIInChI=1S/C15H23N3O2/c1-3-4-10-18(13(2)19)11-8-15(20)17-12-14-7-5-6-9-16-14/h5-7,9H,3-4,8,10-12H2,1-2H3,(H,17,20)
InChIKeyJKAUTFKXCOZRFC-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.74
Rot. Bonds8

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

3-[acetyl(butyl)amino]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 113115749) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[acetyl(butyl)amino]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(butyl)amino]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID113115749
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[acetyl(butyl)amino]-N-(pyridin-2-ylmethyl)propanamide
SMILESCCCCN(CCC(=O)NCc1ccccn1)C(C)=O
InChIInChI=1S/C15H23N3O2/c1-3-4-10-18(13(2)19)11-8-15(20)17-12-14-7-5-6-9-16-14/h5-7,9H,3-4,8,10-12H2,1-2H3,(H,17,20)
InChIKeyJKAUTFKXCOZRFC-UHFFFAOYSA-N
XLogP1.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide
CID 113120223
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113119443
N'-butyl-N'-methyl-N-(pyridin-2-ylmethyl)oxamide
CID 108518361
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113120171
N-pentyl-N-(pyridin-2-ylmethyl)acetamide
CID 46206176
3-(N-acetyl-2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113124845
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120177
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 113120169
3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide
CID 113120148
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113120216
3-(N-acetyl-2,3-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113125018

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(butyl)amino]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-[acetyl(butyl)amino]-N-(pyridin-2-ylmethyl)propanamide (CID 113115749) is 3-[acetyl(butyl)amino]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[acetyl(butyl)amino]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[acetyl(butyl)amino]-N-(pyridin-2-ylmethyl)propanamide is CCCCN(CCC(=O)NCc1ccccn1)C(C)=O.
What is the InChIKey of 3-[acetyl(butyl)amino]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is JKAUTFKXCOZRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-4-10-18(13(2)19)11-8-15(20)17-12-14-7-5-6-9-16-14/h5-7,9H,3-4,8,10-12H2,1-2H3,(H,17,20).
What are the key properties of 3-[acetyl(butyl)amino]-N-(pyridin-2-ylmethyl)propanamide?
3-[acetyl(butyl)amino]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(butyl)amino]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 113115749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).