2-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide;6-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide

C28H26Cl2N4O6 — CID 87509097

IUPAC2-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide;6-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)nc2)cc1OC.COc1ccc(NC(=O)c2cccnc2Cl)cc1OC
InChIInChI=1S/2C14H13ClN2O3/c1-19-11-5-4-10(7-12(11)20-2)17-14(18)9-3-6-13(15)16-8-9;1-19-11-6-5-9(8-12(11)20-2)17-14(18)10-4-3-7-16-13(10)15/h2*3-8H,1-2H3,(H,17,18)
InChIKeyDMDCCCOASGOVFW-UHFFFAOYSA-N
MW585.44 g/mol
LogP6.01
Rot. Bonds8

About 2-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide;6-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide

2-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide;6-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide (PubChem CID 87509097) has the molecular formula C28H26Cl2N4O6 and a molecular weight of 585.44 g/mol. Its IUPAC name is 2-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide;6-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide;6-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
PubChem CID87509097
Molecular FormulaC28H26Cl2N4O6
Molecular Weight585.44 g/mol
Exact Mass584.12
IUPAC Name2-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide;6-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)nc2)cc1OC.COc1ccc(NC(=O)c2cccnc2Cl)cc1OC
InChIInChI=1S/2C14H13ClN2O3/c1-19-11-5-4-10(7-12(11)20-2)17-14(18)9-3-6-13(15)16-8-9;1-19-11-6-5-9(8-12(11)20-2)17-14(18)10-4-3-7-16-13(10)15/h2*3-8H,1-2H3,(H,17,18)
InChIKeyDMDCCCOASGOVFW-UHFFFAOYSA-N
XLogP6.01
TPSA120.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.44
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide
CID 60637342
2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 61072257
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
N-(3,4-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38898343
N-(3-chloro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18150443
3-chloro-N-(6-chloro-3-pyridinyl)-4-(3-methoxy-2-pyridinyl)benzamide
CID 59673136
N-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157890
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109164382
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 2185661
2-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-carboxamide
CID 115588705
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
2-amino-N-(6-chloro-3-pyridinyl)-4,5-dimethoxybenzamide
CID 115279862

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide;6-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide;6-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide (CID 87509097) is 2-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide;6-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide;6-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide;6-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2ccc(Cl)nc2)cc1OC.COc1ccc(NC(=O)c2cccnc2Cl)cc1OC.
What is the InChIKey of 2-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide;6-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is DMDCCCOASGOVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H13ClN2O3/c1-19-11-5-4-10(7-12(11)20-2)17-14(18)9-3-6-13(15)16-8-9;1-19-11-6-5-9(8-12(11)20-2)17-14(18)10-4-3-7-16-13(10)15/h2*3-8H,1-2H3,(H,17,18).
What are the key properties of 2-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide;6-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide?
2-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide;6-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 585.44 g/mol, XLogP of 6.01, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide;6-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 87509097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).