3-[acetyl(propyl)amino]-N-(pyridin-4-ylmethyl)propanamide

C14H21N3O2 — CID 113114952

IUPAC3-[acetyl(propyl)amino]-N-(pyridin-4-ylmethyl)propanamide
SMILESCCCN(CCC(=O)NCc1ccncc1)C(C)=O
InChIInChI=1S/C14H21N3O2/c1-3-9-17(12(2)18)10-6-14(19)16-11-13-4-7-15-8-5-13/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,19)
InChIKeyFYIQJBRKCSXJGZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.35
Rot. Bonds7

About 3-[acetyl(propyl)amino]-N-(pyridin-4-ylmethyl)propanamide

3-[acetyl(propyl)amino]-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 113114952) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[acetyl(propyl)amino]-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(propyl)amino]-N-(pyridin-4-ylmethyl)propanamide
PubChem CID113114952
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[acetyl(propyl)amino]-N-(pyridin-4-ylmethyl)propanamide
SMILESCCCN(CCC(=O)NCc1ccncc1)C(C)=O
InChIInChI=1S/C14H21N3O2/c1-3-9-17(12(2)18)10-6-14(19)16-11-13-4-7-15-8-5-13/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,19)
InChIKeyFYIQJBRKCSXJGZ-UHFFFAOYSA-N
XLogP1.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113122366
3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113123311
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113121768
N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
2-[methylsulfonyl(propyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 113147492
3-(N-acetyl-4-fluoroanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113126859
3-(N,4-diacetylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113130817
3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113129082
3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109012394
3-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]propanoic acid
CID 61194015
3-[acetyl(pyridin-4-ylmethyl)amino]-N-[3-(dimethylamino)propyl]propanamide
CID 113120552
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 113138116

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(propyl)amino]-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-[acetyl(propyl)amino]-N-(pyridin-4-ylmethyl)propanamide (CID 113114952) is 3-[acetyl(propyl)amino]-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-[acetyl(propyl)amino]-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-[acetyl(propyl)amino]-N-(pyridin-4-ylmethyl)propanamide is CCCN(CCC(=O)NCc1ccncc1)C(C)=O.
What is the InChIKey of 3-[acetyl(propyl)amino]-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is FYIQJBRKCSXJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-9-17(12(2)18)10-6-14(19)16-11-13-4-7-15-8-5-13/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,19).
What are the key properties of 3-[acetyl(propyl)amino]-N-(pyridin-4-ylmethyl)propanamide?
3-[acetyl(propyl)amino]-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 263.34 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(propyl)amino]-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 113114952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).