N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide

C20H24N4O2 — CID 9488209

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1cccnc1N1CCCC1
InChIInChI=1S/C20H24N4O2/c1-2-15-8-3-4-10-17(15)23-18(25)14-22-20(26)16-9-7-11-21-19(16)24-12-5-6-13-24/h3-4,7-11H,2,5-6,12-14H2,1H3,(H,22,26)(H,23,25)
InChIKeyKEBOIUJFXALIAK-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.61
Rot. Bonds6

About N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide

N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 9488209) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID9488209
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1cccnc1N1CCCC1
InChIInChI=1S/C20H24N4O2/c1-2-15-8-3-4-10-17(15)23-18(25)14-22-20(26)16-9-7-11-21-19(16)24-12-5-6-13-24/h3-4,7-11H,2,5-6,12-14H2,1H3,(H,22,26)(H,23,25)
InChIKeyKEBOIUJFXALIAK-UHFFFAOYSA-N
XLogP2.61
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide
CID 9488208
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
N-(2-benzylphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 4792834
N-[2-(2-ethylanilino)-2-oxoethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 9488216
2-methyl-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 46526099
2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 84576263
N-[2-(2-ethylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 27762194
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
N-(2-ethylphenyl)-2-pyrrolidin-1-ylbenzamide
CID 168513079
N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55757606
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 3417086
2-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide
CID 51251100

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide (CID 9488209) is N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide is CCc1ccccc1NC(=O)CNC(=O)c1cccnc1N1CCCC1.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is KEBOIUJFXALIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-2-15-8-3-4-10-17(15)23-18(25)14-22-20(26)16-9-7-11-21-19(16)24-12-5-6-13-24/h3-4,7-11H,2,5-6,12-14H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 9488209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).