N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide

C16H18ClN3O2 — CID 110622059

IUPACN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCN(C)C(CNC(=O)c1ccc(=O)[nH]c1)c1ccccc1Cl
InChIInChI=1S/C16H18ClN3O2/c1-20(2)14(12-5-3-4-6-13(12)17)10-19-16(22)11-7-8-15(21)18-9-11/h3-9,14H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyFOGWHOIJFXEVIJ-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.06
Rot. Bonds5

About N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 110622059) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID110622059
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCN(C)C(CNC(=O)c1ccc(=O)[nH]c1)c1ccccc1Cl
InChIInChI=1S/C16H18ClN3O2/c1-20(2)14(12-5-3-4-6-13(12)17)10-19-16(22)11-7-8-15(21)18-9-11/h3-9,14H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyFOGWHOIJFXEVIJ-UHFFFAOYSA-N
XLogP2.06
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 32687581
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide
CID 43044703
4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 31363572
3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 30827387
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-hydroxybenzamide
CID 51866833
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 42033058
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110302779
N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 17471917
2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 8916135
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide
CID 30478238
5-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 42910726
4-bromo-N-[3-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-oxopropyl]benzamide
CID 43003283

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 110622059) is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide is CN(C)C(CNC(=O)c1ccc(=O)[nH]c1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is FOGWHOIJFXEVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-20(2)14(12-5-3-4-6-13(12)17)10-19-16(22)11-7-8-15(21)18-9-11/h3-9,14H,10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110622059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).