N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide

C18H21ClN2O3 — CID 94177179

IUPACN-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
SMILESCOCCn1cc(C(=O)N[C@H](C)Cc2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C18H21ClN2O3/c1-13(11-14-3-6-16(19)7-4-14)20-18(23)15-5-8-17(22)21(12-15)9-10-24-2/h3-8,12-13H,9-11H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyPGTOVDIOVXYJFN-CYBMUJFWSA-N
MW348.83 g/mol
LogP2.51
Rot. Bonds7

About N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide

N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide (PubChem CID 94177179) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
PubChem CID94177179
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC NameN-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
SMILESCOCCn1cc(C(=O)N[C@H](C)Cc2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C18H21ClN2O3/c1-13(11-14-3-6-16(19)7-4-14)20-18(23)15-5-8-17(22)21(12-15)9-10-24-2/h3-8,12-13H,9-11H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyPGTOVDIOVXYJFN-CYBMUJFWSA-N
XLogP2.51
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,6-difluorophenyl)propan-2-yl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
CID 47062590
N-[1-(3-chlorophenyl)propan-2-yl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide
CID 178166100
1-(2-methoxyethyl)-N-(1-morpholin-4-ylpropan-2-yl)-6-oxopyridine-3-carboxamide
CID 55883209
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-2-methoxyacetamide
CID 51948159
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
CID 94528338
1-(2-methoxyethyl)-N-[1-(4-phenylphenyl)propan-2-yl]indole-3-carboxamide
CID 167919547
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-oxidopyridin-1-ium-3-carboxamide
CID 51983594
N-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 3731074
N-[2-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
CID 47062519
N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide
CID 60769951
N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 92635600
3-[1-(4-chlorophenyl)propan-2-ylamino]-N-(2-methoxyethyl)propanamide
CID 103910437

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide (CID 94177179) is N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide is COCCn1cc(C(=O)N[C@H](C)Cc2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide?
The InChIKey is PGTOVDIOVXYJFN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-13(11-14-3-6-16(19)7-4-14)20-18(23)15-5-8-17(22)21(12-15)9-10-24-2/h3-8,12-13H,9-11H2,1-2H3,(H,20,23)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide?
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 94177179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).