N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide

C21H24Cl2N4O2 — CID 55760078

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccnc1N1CCCCC1
InChIInChI=1S/C21H24Cl2N4O2/c1-2-26(14-18(28)25-19-16(22)9-6-10-17(19)23)21(29)15-8-7-11-24-20(15)27-12-4-3-5-13-27/h6-11H,2-5,12-14H2,1H3,(H,25,28)
InChIKeyZTAZUVABPHSKOR-UHFFFAOYSA-N
MW435.36 g/mol
LogP4.48
Rot. Bonds6

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 55760078) has the molecular formula C21H24Cl2N4O2 and a molecular weight of 435.36 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
PubChem CID55760078
Molecular FormulaC21H24Cl2N4O2
Molecular Weight435.36 g/mol
Exact Mass434.13
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccnc1N1CCCCC1
InChIInChI=1S/C21H24Cl2N4O2/c1-2-26(14-18(28)25-19-16(22)9-6-10-17(19)23)21(29)15-8-7-11-24-20(15)27-12-4-3-5-13-27/h6-11H,2-5,12-14H2,1H3,(H,25,28)
InChIKeyZTAZUVABPHSKOR-UHFFFAOYSA-N
XLogP4.48
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.36
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide
CID 84577154
2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 34169565
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethylpyridine-3-carboxamide
CID 55453642
2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide
CID 34169732
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide
CID 51269887
2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid
CID 119346290
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 25313738
3-[methyl-(2-piperidin-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 119362402
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 24553211
2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 84576263
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
CID 31713038

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide (CID 55760078) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccnc1N1CCCCC1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is ZTAZUVABPHSKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N4O2/c1-2-26(14-18(28)25-19-16(22)9-6-10-17(19)23)21(29)15-8-7-11-24-20(15)27-12-4-3-5-13-27/h6-11H,2-5,12-14H2,1H3,(H,25,28).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 435.36 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 55760078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).