N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide

C19H23N3O — CID 109182066

IUPACN-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(N2CCCC2)cn1
InChIInChI=1S/C19H23N3O/c1-3-15-8-6-7-14(2)18(15)21-19(23)17-10-9-16(13-20-17)22-11-4-5-12-22/h6-10,13H,3-5,11-12H2,1-2H3,(H,21,23)
InChIKeyXBZCMECZXVJHFH-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.80
Rot. Bonds4

About N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide

N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 109182066) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID109182066
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(N2CCCC2)cn1
InChIInChI=1S/C19H23N3O/c1-3-15-8-6-7-14(2)18(15)21-19(23)17-10-9-16(13-20-17)22-11-4-5-12-22/h6-10,13H,3-5,11-12H2,1-2H3,(H,21,23)
InChIKeyXBZCMECZXVJHFH-UHFFFAOYSA-N
XLogP3.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-diethylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182816
N-(2-ethyl-6-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186512
5-(4-acetylpiperazin-1-yl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109187407
6-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
CID 109126367
N-(2-ethyl-6-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 8761786
2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334362
N-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109188154
N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193453
N-(4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182799
2-[(2-ethyl-6-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 650275
N-(2-ethyl-6-methylphenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116545
N-(2,3-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109182144

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide (CID 109182066) is N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide is CCc1cccc(C)c1NC(=O)c1ccc(N2CCCC2)cn1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is XBZCMECZXVJHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-3-15-8-6-7-14(2)18(15)21-19(23)17-10-9-16(13-20-17)22-11-4-5-12-22/h6-10,13H,3-5,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide?
N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 109182066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).