2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-N-(oxolan-2-ylmethyl)-3-phenylpropanamide

C19H19ClN2O4 — CID 651988

IUPAC2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
SMILESO=C(NCC1CCCO1)C(C(=O)c1ccccc1)n1cc(Cl)ccc1=O
InChIInChI=1S/C19H19ClN2O4/c20-14-8-9-16(23)22(12-14)17(18(24)13-5-2-1-3-6-13)19(25)21-11-15-7-4-10-26-15/h1-3,5-6,8-9,12,15,17H,4,7,10-11H2,(H,21,25)
InChIKeyNZAHMJMWPJTVMX-UHFFFAOYSA-N
MW374.82 g/mol
LogP2.22
Rot. Bonds6

About 2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-N-(oxolan-2-ylmethyl)-3-phenylpropanamide

2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-N-(oxolan-2-ylmethyl)-3-phenylpropanamide (PubChem CID 651988) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-N-(oxolan-2-ylmethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
PubChem CID651988
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
SMILESO=C(NCC1CCCO1)C(C(=O)c1ccccc1)n1cc(Cl)ccc1=O
InChIInChI=1S/C19H19ClN2O4/c20-14-8-9-16(23)22(12-14)17(18(24)13-5-2-1-3-6-13)19(25)21-11-15-7-4-10-26-15/h1-3,5-6,8-9,12,15,17H,4,7,10-11H2,(H,21,25)
InChIKeyNZAHMJMWPJTVMX-UHFFFAOYSA-N
XLogP2.22
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide
CID 4883577
N-[3-(morpholin-4-yl)propyl]-3-oxo-2-(2-oxopyridin-1(2H)-yl)-3-phenylpropanamide
CID 648870
3-(4-fluorophenyl)-3-oxo-2-(2-oxopyridin-1(2H)-yl)-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 650258
3-oxo-2-(2-oxopyridin-1(2H)-yl)-3-phenyl-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 651329
N-(2-{[1-(cyclohexylcarbamoyl)cyclohexyl](tetrahydrofuran-2-ylmethyl)amino}-2-oxoethyl)benzamide
CID 5027420
N-(2-Dimethylamino-ethyl)-3-oxo-2-(2-oxo-2H-pyridin-1-yl)-3-phenyl-propionamide
CID 6603566
N-((Z)-2-phenyl-1-{[(tetrahydrofuran-2-ylmethyl)amino]carbonyl}vinyl)benzamide
CID 6916239
4-ethyl-N-{3-methyl-1-oxo-1-[(tetrahydrofuran-2-ylmethyl)amino]butan-2-yl}benzamide
CID 2975014
Saroclide A
CID 139589956
N-(2-Phenyl-1-((tetrahydro-furan-2-ylmethyl)-carbamoyl)-vinyl)-benzamide
CID 5755105
N-(phenylcarbonyl)glycyl-N-cyclohexyl-N~2~-(tetrahydrofuran-2-ylmethyl)isovalinamide
CID 4011935
N-(2-{[1-(cyclopentylcarbamoyl)cyclohexyl](tetrahydrofuran-2-ylmethyl)amino}-2-oxoethyl)benzamide
CID 5036574

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-N-(oxolan-2-ylmethyl)-3-phenylpropanamide?
The IUPAC name of 2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-N-(oxolan-2-ylmethyl)-3-phenylpropanamide (CID 651988) is 2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-N-(oxolan-2-ylmethyl)-3-phenylpropanamide.
What is the SMILES notation for 2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-N-(oxolan-2-ylmethyl)-3-phenylpropanamide?
The canonical SMILES for 2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-N-(oxolan-2-ylmethyl)-3-phenylpropanamide is O=C(NCC1CCCO1)C(C(=O)c1ccccc1)n1cc(Cl)ccc1=O.
What is the InChIKey of 2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-N-(oxolan-2-ylmethyl)-3-phenylpropanamide?
The InChIKey is NZAHMJMWPJTVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c20-14-8-9-16(23)22(12-14)17(18(24)13-5-2-1-3-6-13)19(25)21-11-15-7-4-10-26-15/h1-3,5-6,8-9,12,15,17H,4,7,10-11H2,(H,21,25).
What are the key properties of 2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-N-(oxolan-2-ylmethyl)-3-phenylpropanamide?
2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-N-(oxolan-2-ylmethyl)-3-phenylpropanamide has a molecular weight of 374.82 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-N-(oxolan-2-ylmethyl)-3-phenylpropanamide is sourced from PubChem (CID 651988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).