6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide

C18H18ClN3O3 — CID 109096215

IUPAC6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
SMILESO=C(NCC1CCCO1)c1cccc(C(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C18H18ClN3O3/c19-12-4-1-5-13(10-12)21-18(24)16-8-2-7-15(22-16)17(23)20-11-14-6-3-9-25-14/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,20,23)(H,21,24)
InChIKeyREFIHIHAKZTFHE-UHFFFAOYSA-N
MW359.81 g/mol
LogP2.90
Rot. Bonds5

About 6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide

6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide (PubChem CID 109096215) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
PubChem CID109096215
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
SMILESO=C(NCC1CCCO1)c1cccc(C(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C18H18ClN3O3/c19-12-4-1-5-13(10-12)21-18(24)16-8-2-7-15(22-16)17(23)20-11-14-6-3-9-25-14/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,20,23)(H,21,24)
InChIKeyREFIHIHAKZTFHE-UHFFFAOYSA-N
XLogP2.90
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083336
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17205676
6-N-(2,4-dimethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096195
2,4-dichloro-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17202248
6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096177
1-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 94676392
N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 47209133
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 18567713
2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 26256690
3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 43002756
2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096180

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide (CID 109096215) is 6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide is O=C(NCC1CCCO1)c1cccc(C(=O)Nc2cccc(Cl)c2)n1.
What is the InChIKey of 6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
The InChIKey is REFIHIHAKZTFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c19-12-4-1-5-13(10-12)21-18(24)16-8-2-7-15(22-16)17(23)20-11-14-6-3-9-25-14/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,20,23)(H,21,24).
What are the key properties of 6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide has a molecular weight of 359.81 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109096215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).