N-[1-(3-chlorophenyl)propan-2-yl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide

C19H23ClN2O3 — CID 178166100

IUPACN-[1-(3-chlorophenyl)propan-2-yl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide
SMILESCCOCCn1cc(C(=O)NC(C)Cc2cccc(Cl)c2)ccc1=O
InChIInChI=1S/C19H23ClN2O3/c1-3-25-10-9-22-13-16(7-8-18(22)23)19(24)21-14(2)11-15-5-4-6-17(20)12-15/h4-8,12-14H,3,9-11H2,1-2H3,(H,21,24)
InChIKeyGSHXUJLUCUUIMA-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.90
Rot. Bonds8

About N-[1-(3-chlorophenyl)propan-2-yl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide

N-[1-(3-chlorophenyl)propan-2-yl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide (PubChem CID 178166100) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propan-2-yl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propan-2-yl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide
PubChem CID178166100
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC NameN-[1-(3-chlorophenyl)propan-2-yl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide
SMILESCCOCCn1cc(C(=O)NC(C)Cc2cccc(Cl)c2)ccc1=O
InChIInChI=1S/C19H23ClN2O3/c1-3-25-10-9-22-13-16(7-8-18(22)23)19(24)21-14(2)11-15-5-4-6-17(20)12-15/h4-8,12-14H,3,9-11H2,1-2H3,(H,21,24)
InChIKeyGSHXUJLUCUUIMA-UHFFFAOYSA-N
XLogP2.90
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
CID 94177179
N-[(2,4-dichlorophenyl)methyl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide
CID 45487786
4-(bromomethyl)-N-[1-(3-chlorophenyl)propan-2-yl]benzamide
CID 102851122
N-[1-(2,6-difluorophenyl)propan-2-yl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
CID 47062590
1-(2-ethoxyethyl)-6-oxo-N-[[1-(2-phenylethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 178166149
1-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)-6-oxopyridine-3-carboxamide
CID 26844080
N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697563
1-(2-ethoxyethyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
CID 178166177
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]-4-methoxybutanamide
CID 62473376
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridine-3-carboxamide
CID 26844078
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide
CID 43705773
N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide
CID 51728766

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide (CID 178166100) is N-[1-(3-chlorophenyl)propan-2-yl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propan-2-yl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propan-2-yl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide is CCOCCn1cc(C(=O)NC(C)Cc2cccc(Cl)c2)ccc1=O.
What is the InChIKey of N-[1-(3-chlorophenyl)propan-2-yl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide?
The InChIKey is GSHXUJLUCUUIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-3-25-10-9-22-13-16(7-8-18(22)23)19(24)21-14(2)11-15-5-4-6-17(20)12-15/h4-8,12-14H,3,9-11H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(3-chlorophenyl)propan-2-yl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide?
N-[1-(3-chlorophenyl)propan-2-yl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propan-2-yl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 178166100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).