5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methoxy-N-methylpyridine-3-carboxamide

C15H13Cl3N2O2 — CID 171547538

IUPAC5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methoxy-N-methylpyridine-3-carboxamide
SMILESCOc1ncc(Cl)cc1C(=O)N(C)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl3N2O2/c1-20(8-11-12(17)4-3-5-13(11)18)15(21)10-6-9(16)7-19-14(10)22-2/h3-7H,8H2,1-2H3
InChIKeyXPVYPCXTVOAVLZ-UHFFFAOYSA-N
MW359.64 g/mol
LogP4.32
Rot. Bonds4

About 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methoxy-N-methylpyridine-3-carboxamide

5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methoxy-N-methylpyridine-3-carboxamide (PubChem CID 171547538) has the molecular formula C15H13Cl3N2O2 and a molecular weight of 359.64 g/mol. Its IUPAC name is 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methoxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methoxy-N-methylpyridine-3-carboxamide
PubChem CID171547538
Molecular FormulaC15H13Cl3N2O2
Molecular Weight359.64 g/mol
Exact Mass358.00
IUPAC Name5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methoxy-N-methylpyridine-3-carboxamide
SMILESCOc1ncc(Cl)cc1C(=O)N(C)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl3N2O2/c1-20(8-11-12(17)4-3-5-13(11)18)15(21)10-6-9(16)7-19-14(10)22-2/h3-7H,8H2,1-2H3
InChIKeyXPVYPCXTVOAVLZ-UHFFFAOYSA-N
XLogP4.32
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.64
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(difluoromethoxy)-N-[[3-(difluoromethoxy)phenyl]methyl]-N-methylpyridine-3-carboxamide
CID 171547573
5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 171547530
5-chloro-2-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 171547604
2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114917457
1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea
CID 51116678
5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzamide
CID 18079967
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylbenzamide
CID 55997962
N-(2-chloroethyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 63391571
2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 18112013
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methoxypyridine-3-carboxamide
CID 134003236
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103753872
ethyl 3-(5-chloro-2-methoxy-3-pyridinyl)-3-oxopropanoate
CID 170986768

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methoxy-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methoxy-N-methylpyridine-3-carboxamide (CID 171547538) is 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methoxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methoxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methoxy-N-methylpyridine-3-carboxamide is COc1ncc(Cl)cc1C(=O)N(C)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methoxy-N-methylpyridine-3-carboxamide?
The InChIKey is XPVYPCXTVOAVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2O2/c1-20(8-11-12(17)4-3-5-13(11)18)15(21)10-6-9(16)7-19-14(10)22-2/h3-7H,8H2,1-2H3.
What are the key properties of 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methoxy-N-methylpyridine-3-carboxamide?
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methoxy-N-methylpyridine-3-carboxamide has a molecular weight of 359.64 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methoxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 171547538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).