N-benzyl-3-[2-(diethylamino)-4-pyridinyl]propanamide

C19H25N3O — CID 53186104

IUPACN-benzyl-3-[2-(diethylamino)-4-pyridinyl]propanamide
SMILESCCN(CC)c1cc(CCC(=O)NCc2ccccc2)ccn1
InChIInChI=1S/C19H25N3O/c1-3-22(4-2)18-14-16(12-13-20-18)10-11-19(23)21-15-17-8-6-5-7-9-17/h5-9,12-14H,3-4,10-11,15H2,1-2H3,(H,21,23)
InChIKeyZTVVWXSSOJHBKD-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.18
Rot. Bonds8

About N-benzyl-3-[2-(diethylamino)-4-pyridinyl]propanamide

N-benzyl-3-[2-(diethylamino)-4-pyridinyl]propanamide (PubChem CID 53186104) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-benzyl-3-[2-(diethylamino)-4-pyridinyl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(diethylamino)-4-pyridinyl]propanamide
PubChem CID53186104
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-benzyl-3-[2-(diethylamino)-4-pyridinyl]propanamide
SMILESCCN(CC)c1cc(CCC(=O)NCc2ccccc2)ccn1
InChIInChI=1S/C19H25N3O/c1-3-22(4-2)18-14-16(12-13-20-18)10-11-19(23)21-15-17-8-6-5-7-9-17/h5-9,12-14H,3-4,10-11,15H2,1-2H3,(H,21,23)
InChIKeyZTVVWXSSOJHBKD-UHFFFAOYSA-N
XLogP3.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-[2-(diethylamino)-4-pyridinyl]propanamide
CID 53186096
3-[2-(diethylamino)-4-pyridinyl]-N-(2,4-dimethylphenyl)propanamide
CID 53186108
N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
CID 18167302
1-(4-chlorophenyl)-3-[[2-(diethylamino)-4-pyridinyl]methyl]urea
CID 50830215
3-(3,4-diethoxyphenyl)-N-[[4-(diethylamino)phenyl]methyl]propanamide
CID 100527332
3-[2-(diethylamino)-4-pyridinyl]-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one
CID 53186183
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 55743125
N-benzyl-2-[2-(diethylamino)quinolin-8-yl]oxyacetamide
CID 162675843
N-[(2-methyl-4-pyridinyl)methyl]-3-pyridin-3-ylpropanamide
CID 131936779
N-[[4-(diethylamino)phenyl]methyl]-2-phenylacetamide
CID 99839692
N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide
CID 47038622
N-[[4-(bromomethyl)phenyl]methyl]-3-phenylpropanamide
CID 107233854

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-(diethylamino)-4-pyridinyl]propanamide?
The IUPAC name of N-benzyl-3-[2-(diethylamino)-4-pyridinyl]propanamide (CID 53186104) is N-benzyl-3-[2-(diethylamino)-4-pyridinyl]propanamide.
What is the SMILES notation for N-benzyl-3-[2-(diethylamino)-4-pyridinyl]propanamide?
The canonical SMILES for N-benzyl-3-[2-(diethylamino)-4-pyridinyl]propanamide is CCN(CC)c1cc(CCC(=O)NCc2ccccc2)ccn1.
What is the InChIKey of N-benzyl-3-[2-(diethylamino)-4-pyridinyl]propanamide?
The InChIKey is ZTVVWXSSOJHBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-3-22(4-2)18-14-16(12-13-20-18)10-11-19(23)21-15-17-8-6-5-7-9-17/h5-9,12-14H,3-4,10-11,15H2,1-2H3,(H,21,23).
What are the key properties of N-benzyl-3-[2-(diethylamino)-4-pyridinyl]propanamide?
N-benzyl-3-[2-(diethylamino)-4-pyridinyl]propanamide has a molecular weight of 311.43 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-(diethylamino)-4-pyridinyl]propanamide is sourced from PubChem (CID 53186104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).