4-chloro-N-[1-methyl-5-(morpholine-4-carbonyl)-2-oxo-3-pyridinyl]benzamide

C18H18ClN3O4 — CID 30836918

IUPAC4-chloro-N-[1-methyl-5-(morpholine-4-carbonyl)-2-oxo-3-pyridinyl]benzamide
SMILESCn1cc(C(=O)N2CCOCC2)cc(NC(=O)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C18H18ClN3O4/c1-21-11-13(17(24)22-6-8-26-9-7-22)10-15(18(21)25)20-16(23)12-2-4-14(19)5-3-12/h2-5,10-11H,6-9H2,1H3,(H,20,23)
InChIKeyXHIXMGLFKCIRHE-UHFFFAOYSA-N
MW375.81 g/mol
LogP1.76
Rot. Bonds3

About 4-chloro-N-[1-methyl-5-(morpholine-4-carbonyl)-2-oxo-3-pyridinyl]benzamide

4-chloro-N-[1-methyl-5-(morpholine-4-carbonyl)-2-oxo-3-pyridinyl]benzamide (PubChem CID 30836918) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is 4-chloro-N-[1-methyl-5-(morpholine-4-carbonyl)-2-oxo-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-methyl-5-(morpholine-4-carbonyl)-2-oxo-3-pyridinyl]benzamide
PubChem CID30836918
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC Name4-chloro-N-[1-methyl-5-(morpholine-4-carbonyl)-2-oxo-3-pyridinyl]benzamide
SMILESCn1cc(C(=O)N2CCOCC2)cc(NC(=O)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C18H18ClN3O4/c1-21-11-13(17(24)22-6-8-26-9-7-22)10-15(18(21)25)20-16(23)12-2-4-14(19)5-3-12/h2-5,10-11H,6-9H2,1H3,(H,20,23)
InChIKeyXHIXMGLFKCIRHE-UHFFFAOYSA-N
XLogP1.76
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[1-methyl-5-(morpholine-4-carbonyl)-2-oxo-3-pyridinyl]benzamide
CID 45498204
N-(2,5-dichlorophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045546
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045550
N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045422
N-[2-methyl-3-[1-methyl-5-[4-(morpholine-4-carbonyl)-2-(prop-2-enoylamino)anilino]-6-oxo-3-pyridinyl]phenyl]benzamide
CID 175369687
4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 99637235
(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073693
N-(2,4-dichlorophenyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083093
1-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-6-oxopyridine-3-carboxamide
CID 136537487
N-(3-acetamidophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045524
4-chloro-N-[5-chloro-2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1489362
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-methyl-5-(morpholine-4-carbonyl)-2-oxo-3-pyridinyl]benzamide?
The IUPAC name of 4-chloro-N-[1-methyl-5-(morpholine-4-carbonyl)-2-oxo-3-pyridinyl]benzamide (CID 30836918) is 4-chloro-N-[1-methyl-5-(morpholine-4-carbonyl)-2-oxo-3-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-methyl-5-(morpholine-4-carbonyl)-2-oxo-3-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-N-[1-methyl-5-(morpholine-4-carbonyl)-2-oxo-3-pyridinyl]benzamide is Cn1cc(C(=O)N2CCOCC2)cc(NC(=O)c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 4-chloro-N-[1-methyl-5-(morpholine-4-carbonyl)-2-oxo-3-pyridinyl]benzamide?
The InChIKey is XHIXMGLFKCIRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c1-21-11-13(17(24)22-6-8-26-9-7-22)10-15(18(21)25)20-16(23)12-2-4-14(19)5-3-12/h2-5,10-11H,6-9H2,1H3,(H,20,23).
What are the key properties of 4-chloro-N-[1-methyl-5-(morpholine-4-carbonyl)-2-oxo-3-pyridinyl]benzamide?
4-chloro-N-[1-methyl-5-(morpholine-4-carbonyl)-2-oxo-3-pyridinyl]benzamide has a molecular weight of 375.81 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-methyl-5-(morpholine-4-carbonyl)-2-oxo-3-pyridinyl]benzamide is sourced from PubChem (CID 30836918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).