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

C14H19N3O2 — CID 113120535

IUPAC3-[acetyl(pyridin-4-ylmethyl)amino]-N-cyclopropylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CC1)Cc1ccncc1
InChIInChI=1S/C14H19N3O2/c1-11(18)17(10-12-4-7-15-8-5-12)9-6-14(19)16-13-2-3-13/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H,16,19)
InChIKeyLBEMNWYIXSLBJV-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.10
Rot. Bonds6

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

3-[acetyl(pyridin-4-ylmethyl)amino]-N-cyclopropylpropanamide (PubChem CID 113120535) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[acetyl(pyridin-4-ylmethyl)amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[acetyl(pyridin-4-ylmethyl)amino]-N-cyclopropylpropanamide
PubChem CID113120535
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[acetyl(pyridin-4-ylmethyl)amino]-N-cyclopropylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CC1)Cc1ccncc1
InChIInChI=1S/C14H19N3O2/c1-11(18)17(10-12-4-7-15-8-5-12)9-6-14(19)16-13-2-3-13/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H,16,19)
InChIKeyLBEMNWYIXSLBJV-UHFFFAOYSA-N
XLogP1.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid
CID 119229266
N-cyclopentyl-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140010
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120649
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113120713
3-[acetyl(pyridin-4-ylmethyl)amino]-N-[3-(dimethylamino)propyl]propanamide
CID 113120552
N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109013454
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113120639
3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide
CID 113120220
3-[acetyl(benzyl)amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113118228
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 113120669
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-cyclopropylacetamide
CID 113162681
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 113120650

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(pyridin-4-ylmethyl)amino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[acetyl(pyridin-4-ylmethyl)amino]-N-cyclopropylpropanamide (CID 113120535) is 3-[acetyl(pyridin-4-ylmethyl)amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[acetyl(pyridin-4-ylmethyl)amino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[acetyl(pyridin-4-ylmethyl)amino]-N-cyclopropylpropanamide is CC(=O)N(CCC(=O)NC1CC1)Cc1ccncc1.
What is the InChIKey of 3-[acetyl(pyridin-4-ylmethyl)amino]-N-cyclopropylpropanamide?
The InChIKey is LBEMNWYIXSLBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(18)17(10-12-4-7-15-8-5-12)9-6-14(19)16-13-2-3-13/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H,16,19).
What are the key properties of 3-[acetyl(pyridin-4-ylmethyl)amino]-N-cyclopropylpropanamide?
3-[acetyl(pyridin-4-ylmethyl)amino]-N-cyclopropylpropanamide has a molecular weight of 261.32 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(pyridin-4-ylmethyl)amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 113120535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).