N-ethyl-1-methylsulfonyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide

C15H23N3O3S — CID 110753690

IUPACN-ethyl-1-methylsulfonyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide
SMILESCCN(CCc1ccncc1)C(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C15H23N3O3S/c1-3-17(12-8-13-6-9-16-10-7-13)15(19)14-5-4-11-18(14)22(2,20)21/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3
InChIKeyRAILDVOQZXCECS-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.90
Rot. Bonds6

About N-ethyl-1-methylsulfonyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide

N-ethyl-1-methylsulfonyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 110753690) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-ethyl-1-methylsulfonyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methylsulfonyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide
PubChem CID110753690
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-ethyl-1-methylsulfonyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide
SMILESCCN(CCc1ccncc1)C(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C15H23N3O3S/c1-3-17(12-8-13-6-9-16-10-7-13)15(19)14-5-4-11-18(14)22(2,20)21/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3
InChIKeyRAILDVOQZXCECS-UHFFFAOYSA-N
XLogP0.90
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-[(2R)-1-methylsulfonylpiperidine-2-carbonyl]amino]propanoic acid
CID 93435543
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51241357
N'-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108507261
(2R)-N,N-diethyl-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 95196009
3-[ethyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 62827021
1-acetyl-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 146086260
ethyl 1-[2-[ethyl(2-pyridin-4-ylethyl)amino]-2-oxoacetyl]piperidine-4-carboxylate
CID 108504238
4-[2-(1-ethylsulfonylpyrrolidin-2-yl)ethyl]pyridine
CID 73439643
N,N-diethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 15318368
(2S)-1-[ethyl(pyridin-4-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61449819
3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 22692037

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methylsulfonyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-ethyl-1-methylsulfonyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide (CID 110753690) is N-ethyl-1-methylsulfonyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethyl-1-methylsulfonyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-ethyl-1-methylsulfonyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide is CCN(CCc1ccncc1)C(=O)C1CCCN1S(C)(=O)=O.
What is the InChIKey of N-ethyl-1-methylsulfonyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is RAILDVOQZXCECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-3-17(12-8-13-6-9-16-10-7-13)15(19)14-5-4-11-18(14)22(2,20)21/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3.
What are the key properties of N-ethyl-1-methylsulfonyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide?
N-ethyl-1-methylsulfonyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 0.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methylsulfonyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110753690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).