N-(2,6-diethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide

C21H25N3O2 — CID 109102577

IUPACN-(2,6-diethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cncc(C(=O)N2CCCC2)c1
InChIInChI=1S/C21H25N3O2/c1-3-15-8-7-9-16(4-2)19(15)23-20(25)17-12-18(14-22-13-17)21(26)24-10-5-6-11-24/h7-9,12-14H,3-6,10-11H2,1-2H3,(H,23,25)
InChIKeyZKWSUISFJYOYDA-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.69
Rot. Bonds5

About N-(2,6-diethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide

N-(2,6-diethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109102577) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
PubChem CID109102577
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(2,6-diethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cncc(C(=O)N2CCCC2)c1
InChIInChI=1S/C21H25N3O2/c1-3-15-8-7-9-16(4-2)19(15)23-20(25)17-12-18(14-22-13-17)21(26)24-10-5-6-11-24/h7-9,12-14H,3-6,10-11H2,1-2H3,(H,23,25)
InChIKeyZKWSUISFJYOYDA-UHFFFAOYSA-N
XLogP3.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102918
N-(2,6-diethylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044646
N-(2-ethyl-6-methylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107432
4-(azepane-1-carbonyl)-N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 109090661
N-(3-methylphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102907
5-N-cyclohexyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide
CID 109103083
N-(4-acetamidophenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102613
5-N-tert-butyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide
CID 109106930
3-N-(2,6-diethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106761
5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109107727
N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080597
N-(3,5-dimethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102567

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide (CID 109102577) is N-(2,6-diethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide is CCc1cccc(CC)c1NC(=O)c1cncc(C(=O)N2CCCC2)c1.
What is the InChIKey of N-(2,6-diethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is ZKWSUISFJYOYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-15-8-7-9-16(4-2)19(15)23-20(25)17-12-18(14-22-13-17)21(26)24-10-5-6-11-24/h7-9,12-14H,3-6,10-11H2,1-2H3,(H,23,25).
What are the key properties of N-(2,6-diethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide?
N-(2,6-diethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109102577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).