N-[3-(chloromethyl)phenyl]-2-methoxypyridine-3-carboxamide

C14H13ClN2O2 — CID 113270952

IUPACN-[3-(chloromethyl)phenyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cccc(CCl)c1
InChIInChI=1S/C14H13ClN2O2/c1-19-14-12(6-3-7-16-14)13(18)17-11-5-2-4-10(8-11)9-15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyLMRYCQMHJYJXBO-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.08
Rot. Bonds4

About N-[3-(chloromethyl)phenyl]-2-methoxypyridine-3-carboxamide

N-[3-(chloromethyl)phenyl]-2-methoxypyridine-3-carboxamide (PubChem CID 113270952) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is N-[3-(chloromethyl)phenyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(chloromethyl)phenyl]-2-methoxypyridine-3-carboxamide
PubChem CID113270952
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC NameN-[3-(chloromethyl)phenyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cccc(CCl)c1
InChIInChI=1S/C14H13ClN2O2/c1-19-14-12(6-3-7-16-14)13(18)17-11-5-2-4-10(8-11)9-15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyLMRYCQMHJYJXBO-UHFFFAOYSA-N
XLogP3.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-chloroethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 114299271
2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860867
N-(3-cyanophenyl)-2-methoxypyridine-3-carboxamide
CID 55023858
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
N-(2,6-dichlorophenyl)-2-methoxypyridine-3-carboxamide
CID 110864324
N-[4-(2-hydroxyethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 61223971
2-methoxy-N-(2-methylbenzotriazol-5-yl)pyridine-3-carboxamide
CID 155909000
N-[3-(chloromethyl)phenyl]-2-hydroxy-4-methoxybenzamide
CID 114293188
N-[3-(chloromethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 113270960
N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide
CID 62873972
N-[3-chloro-4-(propanoylamino)phenyl]-2-methoxypyridine-3-carboxamide
CID 50968912
N-[3-(chloromethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 102885170

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)phenyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[3-(chloromethyl)phenyl]-2-methoxypyridine-3-carboxamide (CID 113270952) is N-[3-(chloromethyl)phenyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[3-(chloromethyl)phenyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[3-(chloromethyl)phenyl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)Nc1cccc(CCl)c1.
What is the InChIKey of N-[3-(chloromethyl)phenyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is LMRYCQMHJYJXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-19-14-12(6-3-7-16-14)13(18)17-11-5-2-4-10(8-11)9-15/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of N-[3-(chloromethyl)phenyl]-2-methoxypyridine-3-carboxamide?
N-[3-(chloromethyl)phenyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)phenyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 113270952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).