5-chloro-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide

C17H20ClN3O2 — CID 125446087

IUPAC5-chloro-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cccc([C@H](CNC(=O)c2cc(Cl)c[nH]c2=O)N(C)C)c1
InChIInChI=1S/C17H20ClN3O2/c1-11-5-4-6-12(7-11)15(21(2)3)10-20-17(23)14-8-13(18)9-19-16(14)22/h4-9,15H,10H2,1-3H3,(H,19,22)(H,20,23)/t15-/m0/s1
InChIKeyDEFIRQQOLACLFO-HNNXBMFYSA-N
MW333.82 g/mol
LogP2.37
Rot. Bonds5

About 5-chloro-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide

5-chloro-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 125446087) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID125446087
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name5-chloro-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cccc([C@H](CNC(=O)c2cc(Cl)c[nH]c2=O)N(C)C)c1
InChIInChI=1S/C17H20ClN3O2/c1-11-5-4-6-12(7-11)15(21(2)3)10-20-17(23)14-8-13(18)9-19-16(14)22/h4-9,15H,10H2,1-3H3,(H,19,22)(H,20,23)/t15-/m0/s1
InChIKeyDEFIRQQOLACLFO-HNNXBMFYSA-N
XLogP2.37
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 110850809
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-1H-imidazole-4-carboxamide
CID 95563254
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide
CID 125436397
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 95463957
N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 122564762
3-amino-N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 125442259
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-dimethylbenzamide
CID 25480231
N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95191423
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95191422
2-acetyl-N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 122562540
2,4-dichloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 27230027

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide (CID 125446087) is 5-chloro-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1cccc([C@H](CNC(=O)c2cc(Cl)c[nH]c2=O)N(C)C)c1.
What is the InChIKey of 5-chloro-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DEFIRQQOLACLFO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11-5-4-6-12(7-11)15(21(2)3)10-20-17(23)14-8-13(18)9-19-16(14)22/h4-9,15H,10H2,1-3H3,(H,19,22)(H,20,23)/t15-/m0/s1.
What are the key properties of 5-chloro-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
5-chloro-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125446087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).