3-N-butyl-5-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3,5-dicarboxamide

C19H22ClN3O4 — CID 109102088

IUPAC3-N-butyl-5-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cncc(C(=O)Nc2cc(OC)c(Cl)cc2OC)c1
InChIInChI=1S/C19H22ClN3O4/c1-4-5-6-22-18(24)12-7-13(11-21-10-12)19(25)23-15-9-16(26-2)14(20)8-17(15)27-3/h7-11H,4-6H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyBCJSEBYPIFXHSI-UHFFFAOYSA-N
MW391.86 g/mol
LogP3.53
Rot. Bonds8

About 3-N-butyl-5-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3,5-dicarboxamide

3-N-butyl-5-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109102088) has the molecular formula C19H22ClN3O4 and a molecular weight of 391.86 g/mol. Its IUPAC name is 3-N-butyl-5-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-butyl-5-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3,5-dicarboxamide
PubChem CID109102088
Molecular FormulaC19H22ClN3O4
Molecular Weight391.86 g/mol
Exact Mass391.13
IUPAC Name3-N-butyl-5-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cncc(C(=O)Nc2cc(OC)c(Cl)cc2OC)c1
InChIInChI=1S/C19H22ClN3O4/c1-4-5-6-22-18(24)12-7-13(11-21-10-12)19(25)23-15-9-16(26-2)14(20)8-17(15)27-3/h7-11H,4-6H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyBCJSEBYPIFXHSI-UHFFFAOYSA-N
XLogP3.53
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109224522
5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228175
3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109102023
5-N-(2,4-dimethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101267
5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide
CID 109107296
3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106836
3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109102018
3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109102007
3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109101964
3-N-butyl-5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109102080
2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide
CID 109175390
5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 109231933

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-5-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-butyl-5-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3,5-dicarboxamide (CID 109102088) is 3-N-butyl-5-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-butyl-5-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-butyl-5-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3,5-dicarboxamide is CCCCNC(=O)c1cncc(C(=O)Nc2cc(OC)c(Cl)cc2OC)c1.
What is the InChIKey of 3-N-butyl-5-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is BCJSEBYPIFXHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4/c1-4-5-6-22-18(24)12-7-13(11-21-10-12)19(25)23-15-9-16(26-2)14(20)8-17(15)27-3/h7-11H,4-6H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 3-N-butyl-5-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3,5-dicarboxamide?
3-N-butyl-5-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 391.86 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-5-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109102088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).