N,N-diethyl-2-pyridin-4-ylpyrrolidine-1-carboxamide

C14H21N3O — CID 110871633

IUPACN,N-diethyl-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCCC1c1ccncc1
InChIInChI=1S/C14H21N3O/c1-3-16(4-2)14(18)17-11-5-6-13(17)12-7-9-15-10-8-12/h7-10,13H,3-6,11H2,1-2H3
InChIKeyUSCHALBOJMINHD-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.68
Rot. Bonds3

About N,N-diethyl-2-pyridin-4-ylpyrrolidine-1-carboxamide

N,N-diethyl-2-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 110871633) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N,N-diethyl-2-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID110871633
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN,N-diethyl-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCCC1c1ccncc1
InChIInChI=1S/C14H21N3O/c1-3-16(4-2)14(18)17-11-5-6-13(17)12-7-9-15-10-8-12/h7-10,13H,3-6,11H2,1-2H3
InChIKeyUSCHALBOJMINHD-UHFFFAOYSA-N
XLogP2.68
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-amino-3-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one
CID 61155959
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
(4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939220
(2R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 52514055
2-amino-4-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one
CID 43579561
4-oxo-4-(2-pyridin-4-ylpyrrolidin-1-yl)butanoic acid
CID 43578440
N-methyl-N-[2-oxo-2-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]ethyl]methanesulfonamide
CID 94097785
(2S)-1-[ethyl(pyridin-4-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61449819
pyrazin-2-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631463
(5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42942674
4-tert-butylsulfanyl-1-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]butan-1-one
CID 97241360
(1-aminocyclopropyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 65465058

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of N,N-diethyl-2-pyridin-4-ylpyrrolidine-1-carboxamide (CID 110871633) is N,N-diethyl-2-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N,N-diethyl-2-pyridin-4-ylpyrrolidine-1-carboxamide is CCN(CC)C(=O)N1CCCC1c1ccncc1.
What is the InChIKey of N,N-diethyl-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is USCHALBOJMINHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-16(4-2)14(18)17-11-5-6-13(17)12-7-9-15-10-8-12/h7-10,13H,3-6,11H2,1-2H3.
What are the key properties of N,N-diethyl-2-pyridin-4-ylpyrrolidine-1-carboxamide?
N,N-diethyl-2-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 110871633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).