N-(5-chloro-2-morpholin-4-ylphenyl)-6-oxo-1H-pyridine-3-carboxamide

C16H16ClN3O3 — CID 4799940

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H16ClN3O3/c17-12-2-3-14(20-5-7-23-8-6-20)13(9-12)19-16(22)11-1-4-15(21)18-10-11/h1-4,9-10H,5-8H2,(H,18,21)(H,19,22)
InChIKeyMTWCAYSKFHOXEX-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.12
Rot. Bonds3

About N-(5-chloro-2-morpholin-4-ylphenyl)-6-oxo-1H-pyridine-3-carboxamide

N-(5-chloro-2-morpholin-4-ylphenyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 4799940) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID4799940
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H16ClN3O3/c17-12-2-3-14(20-5-7-23-8-6-20)13(9-12)19-16(22)11-1-4-15(21)18-10-11/h1-4,9-10H,5-8H2,(H,18,21)(H,19,22)
InChIKeyMTWCAYSKFHOXEX-UHFFFAOYSA-N
XLogP2.12
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 53322591
(3E)-6-chloro-3-[(2-methoxyethylamino)methylene]-1-methyl-5-phenyl-1,5-benzodiazepine-2,4-dione
CID 53322592
N-(5-chloro-2-morpholin-4-ylphenyl)cyclopropanecarboxamide
CID 9505148
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-6-oxo-1H-pyridine-3-carboxamide (CID 4799940) is N-(5-chloro-2-morpholin-4-ylphenyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-6-oxo-1H-pyridine-3-carboxamide is O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MTWCAYSKFHOXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c17-12-2-3-14(20-5-7-23-8-6-20)13(9-12)19-16(22)11-1-4-15(21)18-10-11/h1-4,9-10H,5-8H2,(H,18,21)(H,19,22).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 333.78 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 4799940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).