N,N-diethyl-3-pyridin-4-ylpropanamide

C12H18N2O — CID 78878654

IUPACN,N-diethyl-3-pyridin-4-ylpropanamide
SMILESCCN(CC)C(=O)CCc1ccncc1
InChIInChI=1S/C12H18N2O/c1-3-14(4-2)12(15)6-5-11-7-9-13-10-8-11/h7-10H,3-6H2,1-2H3
InChIKeyFPXRDRDPKXWZSH-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.88
Rot. Bonds5

About N,N-diethyl-3-pyridin-4-ylpropanamide

N,N-diethyl-3-pyridin-4-ylpropanamide (PubChem CID 78878654) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N,N-diethyl-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN,N-diethyl-3-pyridin-4-ylpropanamide
PubChem CID78878654
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN,N-diethyl-3-pyridin-4-ylpropanamide
SMILESCCN(CC)C(=O)CCc1ccncc1
InChIInChI=1S/C12H18N2O/c1-3-14(4-2)12(15)6-5-11-7-9-13-10-8-11/h7-10H,3-6H2,1-2H3
InChIKeyFPXRDRDPKXWZSH-UHFFFAOYSA-N
XLogP1.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 110755648
3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 22692037
N,N-diethyl-2-(2-pyridin-4-ylethylamino)acetamide
CID 60904348
6-[ethyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 54876323
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
ethyl 2-[prop-2-enyl(3-pyridin-4-ylpropanoyl)amino]acetate
CID 115538896
N-(1-aminopropan-2-yl)-N-methyl-3-pyridin-4-ylpropanamide;dihydrochloride
CID 119582548
N-ethyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 70725804
acetic acid;3-pyridin-4-ylpropanoic acid
CID 71346900
N-ethyl-3-(2-methyl-1H-indol-3-yl)-N-(2-pyridin-4-ylethyl)propanamide
CID 110683519
N-ethyl-3-imidazo[1,5-a]pyridin-3-yl-N-(2-pyridin-4-ylethyl)propanamide
CID 110675045
3-[ethyl-[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
CID 61203855

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-pyridin-4-ylpropanamide?
The IUPAC name of N,N-diethyl-3-pyridin-4-ylpropanamide (CID 78878654) is N,N-diethyl-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N,N-diethyl-3-pyridin-4-ylpropanamide?
The canonical SMILES for N,N-diethyl-3-pyridin-4-ylpropanamide is CCN(CC)C(=O)CCc1ccncc1.
What is the InChIKey of N,N-diethyl-3-pyridin-4-ylpropanamide?
The InChIKey is FPXRDRDPKXWZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-14(4-2)12(15)6-5-11-7-9-13-10-8-11/h7-10H,3-6H2,1-2H3.
What are the key properties of N,N-diethyl-3-pyridin-4-ylpropanamide?
N,N-diethyl-3-pyridin-4-ylpropanamide has a molecular weight of 206.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 78878654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).