3,6-dichloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide

C14H12Cl2N2O3 — CID 26408797

IUPAC3,6-dichloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2nc(Cl)ccc2Cl)cc(OC)c1
InChIInChI=1S/C14H12Cl2N2O3/c1-20-9-5-8(6-10(7-9)21-2)17-14(19)13-11(15)3-4-12(16)18-13/h3-7H,1-2H3,(H,17,19)
InChIKeyNITYLLUXYCXKFW-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.66
Rot. Bonds4

About 3,6-dichloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide

3,6-dichloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide (PubChem CID 26408797) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is 3,6-dichloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
PubChem CID26408797
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name3,6-dichloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2nc(Cl)ccc2Cl)cc(OC)c1
InChIInChI=1S/C14H12Cl2N2O3/c1-20-9-5-8(6-10(7-9)21-2)17-14(19)13-11(15)3-4-12(16)18-13/h3-7H,1-2H3,(H,17,19)
InChIKeyNITYLLUXYCXKFW-UHFFFAOYSA-N
XLogP3.66
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-methoxyphenyl)-3,6-dichloropyridine-2-carboxamide
CID 79421839
N-(3-bromo-5-methoxyphenyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide
CID 82859108
3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide
CID 78929855
3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide
CID 26719883
3,4,5,6-tetrachloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 18281458
3,6-dichloro-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 60912008
2,6-dichloro-N-(3,5-dimethoxyphenyl)benzamide
CID 891393
2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide
CID 107020390
3,6-dichloro-N-(3-hydroxyphenyl)pyridine-2-carboxamide
CID 60692218
4-[(3,6-dichloropyridine-2-carbonyl)amino]benzoic acid
CID 45426688
3,6-dichloro-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 26719813
3,6-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]pyridine-2-carboxamide
CID 46523092

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide (CID 26408797) is 3,6-dichloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide is COc1cc(NC(=O)c2nc(Cl)ccc2Cl)cc(OC)c1.
What is the InChIKey of 3,6-dichloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is NITYLLUXYCXKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c1-20-9-5-8(6-10(7-9)21-2)17-14(19)13-11(15)3-4-12(16)18-13/h3-7H,1-2H3,(H,17,19).
What are the key properties of 3,6-dichloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide?
3,6-dichloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 327.17 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 26408797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).