2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide

C15H15ClN2O2 — CID 60631218

IUPAC2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c1-18(10-11-5-7-12(20-2)8-6-11)15(19)13-4-3-9-17-14(13)16/h3-9H,10H2,1-2H3
InChIKeyKLIODRTYBKNBNG-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.02
Rot. Bonds4

About 2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide

2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 60631218) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID60631218
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c1-18(10-11-5-7-12(20-2)8-6-11)15(19)13-4-3-9-17-14(13)16/h3-9H,10H2,1-2H3
InChIKeyKLIODRTYBKNBNG-UHFFFAOYSA-N
XLogP3.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.02
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

2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpyridine-3-carboxamide
CID 34735177
ethyl 4-[(2-chloropyridine-3-carbonyl)-[(4-methoxyphenyl)methyl]amino]benzoate
CID 58424922
5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631233
2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60631214
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60628317
N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 86975589
2-chloro-N-methoxy-N-methylpyridine-3-carboxamide
CID 10236076
N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide
CID 43374214
2-amino-4-chloro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 61112358
methyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate
CID 61051558
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79389751
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81237935

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide (CID 60631218) is 2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide is COc1ccc(CN(C)C(=O)c2cccnc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is KLIODRTYBKNBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-18(10-11-5-7-12(20-2)8-6-11)15(19)13-4-3-9-17-14(13)16/h3-9H,10H2,1-2H3.
What are the key properties of 2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 60631218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).