N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide

C19H23N3O — CID 109203831

IUPACN-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(N2CCCC2)ccn1
InChIInChI=1S/C19H23N3O/c1-2-21(15-16-8-4-3-5-9-16)19(23)18-14-17(10-11-20-18)22-12-6-7-13-22/h3-5,8-11,14H,2,6-7,12-13,15H2,1H3
InChIKeyMEBRMLQSYLFWHW-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.34
Rot. Bonds5

About N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide

N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 109203831) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID109203831
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(N2CCCC2)ccn1
InChIInChI=1S/C19H23N3O/c1-2-21(15-16-8-4-3-5-9-16)19(23)18-14-17(10-11-20-18)22-12-6-7-13-22/h3-5,8-11,14H,2,6-7,12-13,15H2,1H3
InChIKeyMEBRMLQSYLFWHW-UHFFFAOYSA-N
XLogP3.34
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208871
N-benzyl-N-ethyl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109212514
N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide
CID 71553275
4-(azepane-1-carbonyl)-N-benzyl-N-ethylpyridine-2-carboxamide
CID 109087072
4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide
CID 109216380
N-benzyl-N-hydroxy-4-morpholin-4-ylpyridine-2-carboxamide
CID 86681827
N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250116
2-N-benzyl-4-N-cyclohexyl-2-N-ethylpyridine-2,4-dicarboxamide
CID 109081382
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 71840355
N-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204611
4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide
CID 109216457
N-benzyl-N-ethyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109212519

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide (CID 109203831) is N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(N2CCCC2)ccn1.
What is the InChIKey of N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is MEBRMLQSYLFWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-21(15-16-8-4-3-5-9-16)19(23)18-14-17(10-11-20-18)22-12-6-7-13-22/h3-5,8-11,14H,2,6-7,12-13,15H2,1H3.
What are the key properties of N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide?
N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 109203831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).