4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide

C18H18ClN3O3 — CID 109083336

IUPAC4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccnc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C18H18ClN3O3/c19-13-3-1-4-14(10-13)22-17(23)12-6-7-20-16(9-12)18(24)21-11-15-5-2-8-25-15/h1,3-4,6-7,9-10,15H,2,5,8,11H2,(H,21,24)(H,22,23)
InChIKeyUDXZHNJMSNETSF-UHFFFAOYSA-N
MW359.81 g/mol
LogP2.90
Rot. Bonds5

About 4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide

4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109083336) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109083336
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccnc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C18H18ClN3O3/c19-13-3-1-4-14(10-13)22-17(23)12-6-7-20-16(9-12)18(24)21-11-15-5-2-8-25-15/h1,3-4,6-7,9-10,15H,2,5,8,11H2,(H,21,24)(H,22,23)
InChIKeyUDXZHNJMSNETSF-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

6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096215
4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083381
2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083201
4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083312
4-N-(2,6-diethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083329
4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17205676
4-N-(2-tert-butylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083331
2-N-[4-(diethylamino)phenyl]-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083227
3-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981202
4-N-(furan-2-ylmethyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083258
2,4-dichloro-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17202248
2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109083276

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide (CID 109083336) is 4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide is O=C(Nc1cccc(Cl)c1)c1ccnc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is UDXZHNJMSNETSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c19-13-3-1-4-14(10-13)22-17(23)12-6-7-20-16(9-12)18(24)21-11-15-5-2-8-25-15/h1,3-4,6-7,9-10,15H,2,5,8,11H2,(H,21,24)(H,22,23).
What are the key properties of 4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-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 4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109083336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).