3,5-dichloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide

C13H16Cl2N2O2 — CID 122132655

IUPAC3,5-dichloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide
SMILESCC1(C)CC(NC(=O)c2c(Cl)cncc2Cl)CCO1
InChIInChI=1S/C13H16Cl2N2O2/c1-13(2)5-8(3-4-19-13)17-12(18)11-9(14)6-16-7-10(11)15/h6-8H,3-5H2,1-2H3,(H,17,18)
InChIKeyMAYZCEGTSHOCBC-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.08
Rot. Bonds2

About 3,5-dichloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide

3,5-dichloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide (PubChem CID 122132655) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 3,5-dichloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide
PubChem CID122132655
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name3,5-dichloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide
SMILESCC1(C)CC(NC(=O)c2c(Cl)cncc2Cl)CCO1
InChIInChI=1S/C13H16Cl2N2O2/c1-13(2)5-8(3-4-19-13)17-12(18)11-9(14)6-16-7-10(11)15/h6-8H,3-5H2,1-2H3,(H,17,18)
InChIKeyMAYZCEGTSHOCBC-UHFFFAOYSA-N
XLogP3.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide
CID 113336639
6-amino-5-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide
CID 115563972
5-chloro-N-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridine-3-carboxamide
CID 83039415
6-chloro-N-(2,2-dimethyloxan-4-yl)pyridazine-3-carboxamide
CID 83033818
2-chloro-N-(2,2-dimethyloxan-4-yl)-6-methylpyridine-4-carboxamide
CID 113378498
N-[(3aS,6aR)-5-acetamido-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-3,5-dichloropyridine-4-carboxamide
CID 166360012
N-(2,2-dimethyloxan-4-yl)-5-(methylamino)pyridine-2-carboxamide
CID 104641994
3-amino-N-(2,2-dimethyloxan-4-yl)-2,6-difluorobenzamide
CID 83027170
4-amino-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-carboxamide
CID 83027249
3-[(2,2-dimethyloxan-4-yl)carbamoyl]-5-fluorosulfonyloxypyridine
CID 154880990
5-(3-aminoprop-1-ynyl)-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide
CID 83035251
5-chloro-2-[(2,2-dimethyloxan-4-yl)amino]pyridine-4-carboxylic acid
CID 114919895

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide?
The IUPAC name of 3,5-dichloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide (CID 122132655) is 3,5-dichloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3,5-dichloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 3,5-dichloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide is CC1(C)CC(NC(=O)c2c(Cl)cncc2Cl)CCO1.
What is the InChIKey of 3,5-dichloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide?
The InChIKey is MAYZCEGTSHOCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-13(2)5-8(3-4-19-13)17-12(18)11-9(14)6-16-7-10(11)15/h6-8H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 3,5-dichloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide?
3,5-dichloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide has a molecular weight of 303.19 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 122132655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).