N,N-diethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide

C14H23N3O — CID 81405715

IUPACN,N-diethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
SMILESCCN(CC)C(=O)C(C)N[C@@H](C)c1ccncc1
InChIInChI=1S/C14H23N3O/c1-5-17(6-2)14(18)12(4)16-11(3)13-7-9-15-10-8-13/h7-12,16H,5-6H2,1-4H3/t11-,12?/m0/s1
InChIKeyFGSKRCQERVCLLR-PXYINDEMSA-N
MW249.36 g/mol
LogP1.99
Rot. Bonds6

About N,N-diethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide

N,N-diethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide (PubChem CID 81405715) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N,N-diethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
PubChem CID81405715
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN,N-diethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
SMILESCCN(CC)C(=O)C(C)N[C@@H](C)c1ccncc1
InChIInChI=1S/C14H23N3O/c1-5-17(6-2)14(18)12(4)16-11(3)13-7-9-15-10-8-13/h7-12,16H,5-6H2,1-4H3/t11-,12?/m0/s1
InChIKeyFGSKRCQERVCLLR-PXYINDEMSA-N
XLogP1.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid
CID 81405988
2-[1-(3-bromophenyl)ethylamino]-N,N-diethylpropanamide
CID 43426627
(2S)-N,N-diethyl-2-(pyridin-4-ylcarbamoylamino)propanamide
CID 94822181
N-(ethylcarbamoyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide
CID 81409955
N-(ethylcarbamoyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
CID 81406042
N-(2-methylbutan-2-yl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide
CID 81409616
N-tert-butyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
CID 81410714
2-[1-(2,6-difluorophenyl)ethylamino]-N,N-diethylpropanamide
CID 43739406
2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide
CID 81409606
2-amino-N,N-diethyl-3-hydroxy-3-pyridin-4-ylpropanamide
CID 68953760
2-[1-(5-bromofuran-2-yl)ethylamino]-N,N-diethylpropanamide
CID 104652645
N,N-diethyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide
CID 43425569

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide?
The IUPAC name of N,N-diethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide (CID 81405715) is N,N-diethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide.
What is the SMILES notation for N,N-diethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide?
The canonical SMILES for N,N-diethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide is CCN(CC)C(=O)C(C)N[C@@H](C)c1ccncc1.
What is the InChIKey of N,N-diethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide?
The InChIKey is FGSKRCQERVCLLR-PXYINDEMSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-17(6-2)14(18)12(4)16-11(3)13-7-9-15-10-8-13/h7-12,16H,5-6H2,1-4H3/t11-,12?/m0/s1.
What are the key properties of N,N-diethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide?
N,N-diethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide has a molecular weight of 249.36 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide is sourced from PubChem (CID 81405715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).