N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide

C20H18ClN3O3 — CID 47074782

IUPACN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C20H18ClN3O3/c1-24(12-13-27-15-7-5-14(21)6-8-15)20(26)16-9-10-18(23-19(16)25)17-4-2-3-11-22-17/h2-11H,12-13H2,1H3,(H,23,25)
InChIKeyZWNTYQPNOAODPB-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.24
Rot. Bonds6

About N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide

N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide (PubChem CID 47074782) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide
PubChem CID47074782
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C20H18ClN3O3/c1-24(12-13-27-15-7-5-14(21)6-8-15)20(26)16-9-10-18(23-19(16)25)17-4-2-3-11-22-17/h2-11H,12-13H2,1H3,(H,23,25)
InChIKeyZWNTYQPNOAODPB-UHFFFAOYSA-N
XLogP3.24
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 27795601
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55759754
N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 47067363
N-[2-(4-chlorophenoxy)ethyl]-6-methoxy-N-methyl-2H-benzotriazole-5-carboxamide
CID 75455669
3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 66482556
N-[2-(4-chlorophenoxy)ethyl]-N,2,3-trimethylbenzamide
CID 112792732
5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide
CID 16596269
N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 35691977
N-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 112792660
4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide
CID 61114074
N-methyl-2-(4-methylphenyl)-6-oxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide
CID 70711569
N-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 112793960

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide (CID 47074782) is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide is CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(-c2ccccn2)[nH]c1=O.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is ZWNTYQPNOAODPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-24(12-13-27-15-7-5-14(21)6-8-15)20(26)16-9-10-18(23-19(16)25)17-4-2-3-11-22-17/h2-11H,12-13H2,1H3,(H,23,25).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide?
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47074782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).