2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide

C15H14Cl2N2O2 — CID 114917457

IUPAC2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(Cl)ncc2Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-19(9-10-4-3-5-11(6-10)21-2)15(20)12-7-14(17)18-8-13(12)16/h3-8H,9H2,1-2H3
InChIKeyGKGFPSLUYXBGRL-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.67
Rot. Bonds4

About 2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide

2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide (PubChem CID 114917457) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
PubChem CID114917457
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(Cl)ncc2Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-19(9-10-4-3-5-11(6-10)21-2)15(20)12-7-14(17)18-8-13(12)16/h3-8H,9H2,1-2H3
InChIKeyGKGFPSLUYXBGRL-UHFFFAOYSA-N
XLogP3.67
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxyphenyl)methyl 2,5-dichloropyridine-4-carboxylate
CID 114929160
3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 103975419
5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 61418056
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 107722488
3-chloro-4-iodo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221595
5-amino-N-[(3-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 115330502
N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 9112314
2-(2,6-dichlorophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 112786345
2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 114371373
5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 63722518
N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide
CID 18112540

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide (CID 114917457) is 2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide is COc1cccc(CN(C)C(=O)c2cc(Cl)ncc2Cl)c1.
What is the InChIKey of 2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is GKGFPSLUYXBGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-19(9-10-4-3-5-11(6-10)21-2)15(20)12-7-14(17)18-8-13(12)16/h3-8H,9H2,1-2H3.
What are the key properties of 2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide?
2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 325.20 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 114917457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).