4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide

C18H17Cl2N3O3 — CID 109083381

IUPAC4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1ccnc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C18H17Cl2N3O3/c19-13-4-1-5-14(20)16(13)23-17(24)11-6-7-21-15(9-11)18(25)22-10-12-3-2-8-26-12/h1,4-7,9,12H,2-3,8,10H2,(H,22,25)(H,23,24)
InChIKeyGHMFQEFJVXZQNV-UHFFFAOYSA-N
MW394.26 g/mol
LogP3.55
Rot. Bonds5

About 4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide

4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109083381) has the molecular formula C18H17Cl2N3O3 and a molecular weight of 394.26 g/mol. Its IUPAC name is 4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109083381
Molecular FormulaC18H17Cl2N3O3
Molecular Weight394.26 g/mol
Exact Mass393.06
IUPAC Name4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1ccnc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C18H17Cl2N3O3/c19-13-4-1-5-14(20)16(13)23-17(24)11-6-7-21-15(9-11)18(25)22-10-12-3-2-8-26-12/h1,4-7,9,12H,2-3,8,10H2,(H,22,25)(H,23,24)
InChIKeyGHMFQEFJVXZQNV-UHFFFAOYSA-N
XLogP3.55
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 53.55
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
4-N-(2,6-diethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083329
2-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 109167534
4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083312
2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083201
4-N-(2-tert-butylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083331
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083250
4-N-(furan-2-ylmethyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083258
2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109083276
2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109081638
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
4-N-cyclopentyl-2-N-(2,6-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109080842

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide (CID 109083381) is 4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide is O=C(Nc1c(Cl)cccc1Cl)c1ccnc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is GHMFQEFJVXZQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O3/c19-13-4-1-5-14(20)16(13)23-17(24)11-6-7-21-15(9-11)18(25)22-10-12-3-2-8-26-12/h1,4-7,9,12H,2-3,8,10H2,(H,22,25)(H,23,24).
What are the key properties of 4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide has a molecular weight of 394.26 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109083381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).