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

C20H25N4O2+ — CID 9488208

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1ccc[nH+]c1N1CCCC1
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)/p+1
InChIKeyKEBOIUJFXALIAK-UHFFFAOYSA-O
MW353.45 g/mol
LogP2.03
Rot. Bonds6

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

N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide (PubChem CID 9488208) has the molecular formula C20H25N4O2+ and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide
PubChem CID9488208
Molecular FormulaC20H25N4O2+
Molecular Weight353.45 g/mol
Exact Mass353.20
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1ccc[nH+]c1N1CCCC1
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)/p+1
InChIKeyKEBOIUJFXALIAK-UHFFFAOYSA-O
XLogP2.03
TPSA75.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 9488209
2-methyl-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 46526099
N-[2-(2-ethylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 27762194
N-(2-ethylphenyl)-2-pyrrolidin-1-ylbenzamide
CID 168513079
N-[2-(2-ethylanilino)-2-oxoethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 43046467
2-iodo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 30495619
N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 27762316
2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 42029832
N-[2-(2-ethylanilino)-2-oxoethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 9488216
4-ethyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26678506
N-[2-(2-ethylanilino)-2-oxoethyl]naphthalene-2-carboxamide
CID 8699030
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 9488235

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide (CID 9488208) is N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide is CCc1ccccc1NC(=O)CNC(=O)c1ccc[nH+]c1N1CCCC1.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide?
The InChIKey is KEBOIUJFXALIAK-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide is sourced from PubChem (CID 9488208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).