N-(3,4-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide

C18H21N3O — CID 84573565

IUPACN-(3,4-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(N3CCCC3)n2)cc1C
InChIInChI=1S/C18H21N3O/c1-13-8-9-15(12-14(13)2)19-18(22)16-6-5-7-17(20-16)21-10-3-4-11-21/h5-9,12H,3-4,10-11H2,1-2H3,(H,19,22)
InChIKeyOZSBVWAFABWOHT-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.55
Rot. Bonds3

About N-(3,4-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide

N-(3,4-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 84573565) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID84573565
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-(3,4-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(N3CCCC3)n2)cc1C
InChIInChI=1S/C18H21N3O/c1-13-8-9-15(12-14(13)2)19-18(22)16-6-5-7-17(20-16)21-10-3-4-11-21/h5-9,12H,3-4,10-11H2,1-2H3,(H,19,22)
InChIKeyOZSBVWAFABWOHT-UHFFFAOYSA-N
XLogP3.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573584
N-(3-chloro-4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573514
6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 103874038
N-(4-methylphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573865
N-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 155945840
N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573864
N-(3-chloro-4-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362806
6-N-(3,4-difluorophenyl)-2-N-(3,4-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109100456
N-(3-acetylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574044
N-(3,4-dimethylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366926
6-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847704
6-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 109099901

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide (CID 84573565) is N-(3,4-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide is Cc1ccc(NC(=O)c2cccc(N3CCCC3)n2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is OZSBVWAFABWOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-8-9-15(12-14(13)2)19-18(22)16-6-5-7-17(20-16)21-10-3-4-11-21/h5-9,12H,3-4,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-(3,4-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide?
N-(3,4-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 84573565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).