N-[4-(2-chloroethyl)phenyl]-2-methoxypyridine-3-carboxamide

C15H15ClN2O2 — CID 114299271

IUPACN-[4-(2-chloroethyl)phenyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1ccc(CCCl)cc1
InChIInChI=1S/C15H15ClN2O2/c1-20-15-13(3-2-10-17-15)14(19)18-12-6-4-11(5-7-12)8-9-16/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyIWDRVCADVPITLC-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.12
Rot. Bonds5

About N-[4-(2-chloroethyl)phenyl]-2-methoxypyridine-3-carboxamide

N-[4-(2-chloroethyl)phenyl]-2-methoxypyridine-3-carboxamide (PubChem CID 114299271) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-[4-(2-chloroethyl)phenyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chloroethyl)phenyl]-2-methoxypyridine-3-carboxamide
PubChem CID114299271
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-[4-(2-chloroethyl)phenyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1ccc(CCCl)cc1
InChIInChI=1S/C15H15ClN2O2/c1-20-15-13(3-2-10-17-15)14(19)18-12-6-4-11(5-7-12)8-9-16/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyIWDRVCADVPITLC-UHFFFAOYSA-N
XLogP3.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.12
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-hydroxyethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 61223971
N-[3-(chloromethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 113270952
2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide
CID 134002839
N-[4-(2-chloroethyl)phenyl]pyridine-2-carboxamide
CID 113272163
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide
CID 62873972
N-(2,6-dichlorophenyl)-2-methoxypyridine-3-carboxamide
CID 110864324
N-[3-chloro-4-(propanoylamino)phenyl]-2-methoxypyridine-3-carboxamide
CID 50968912
N-[4-(2-chloroethyl)phenyl]-2,3-dimethylbenzamide
CID 114299174
N-[4-(2-chloroethyl)phenyl]-2-methoxy-5-methylbenzamide
CID 114299336
2-[(2-methoxypyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63654787
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-3-carboxamide
CID 122300910

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloroethyl)phenyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[4-(2-chloroethyl)phenyl]-2-methoxypyridine-3-carboxamide (CID 114299271) is N-[4-(2-chloroethyl)phenyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-chloroethyl)phenyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-chloroethyl)phenyl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)Nc1ccc(CCCl)cc1.
What is the InChIKey of N-[4-(2-chloroethyl)phenyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is IWDRVCADVPITLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-20-15-13(3-2-10-17-15)14(19)18-12-6-4-11(5-7-12)8-9-16/h2-7,10H,8-9H2,1H3,(H,18,19).
What are the key properties of N-[4-(2-chloroethyl)phenyl]-2-methoxypyridine-3-carboxamide?
N-[4-(2-chloroethyl)phenyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloroethyl)phenyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 114299271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).