5-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C14H19ClN2O4 — CID 91766028

IUPAC5-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)c1c(C)c(Cl)c(C)[nH]c1=O
InChIInChI=1S/C14H19ClN2O4/c1-7-11(13(18)16-8(2)12(7)15)14(19)17-9-4-5-21-6-10(9)20-3/h9-10H,4-6H2,1-3H3,(H,16,18)(H,17,19)/t9-,10-/m1/s1
InChIKeyDVUHVSMGRWLEON-NXEZZACHSA-N
MW314.77 g/mol
LogP1.18
Rot. Bonds3

About 5-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

5-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 91766028) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is 5-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID91766028
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name5-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)c1c(C)c(Cl)c(C)[nH]c1=O
InChIInChI=1S/C14H19ClN2O4/c1-7-11(13(18)16-8(2)12(7)15)14(19)17-9-4-5-21-6-10(9)20-3/h9-10H,4-6H2,1-3H3,(H,16,18)(H,17,19)/t9-,10-/m1/s1
InChIKeyDVUHVSMGRWLEON-NXEZZACHSA-N
XLogP1.18
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 91766028) is 5-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is CO[C@@H]1COCC[C@H]1NC(=O)c1c(C)c(Cl)c(C)[nH]c1=O.
What is the InChIKey of 5-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DVUHVSMGRWLEON-NXEZZACHSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-7-11(13(18)16-8(2)12(7)15)14(19)17-9-4-5-21-6-10(9)20-3/h9-10H,4-6H2,1-3H3,(H,16,18)(H,17,19)/t9-,10-/m1/s1.
What are the key properties of 5-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
5-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 314.77 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 91766028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).