N-(3-chloro-4-methoxyphenyl)-2-ethoxypyridine-3-carboxamide

C15H15ClN2O3 — CID 4558841

IUPACN-(3-chloro-4-methoxyphenyl)-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C15H15ClN2O3/c1-3-21-15-11(5-4-8-17-15)14(19)18-10-6-7-13(20-2)12(16)9-10/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyXATDPUNVKVOTGZ-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.39
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-ethoxypyridine-3-carboxamide

N-(3-chloro-4-methoxyphenyl)-2-ethoxypyridine-3-carboxamide (PubChem CID 4558841) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-ethoxypyridine-3-carboxamide
PubChem CID4558841
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C15H15ClN2O3/c1-3-21-15-11(5-4-8-17-15)14(19)18-10-6-7-13(20-2)12(16)9-10/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyXATDPUNVKVOTGZ-UHFFFAOYSA-N
XLogP3.39
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-ethoxypyridine-3-carboxamide (CID 4558841) is N-(3-chloro-4-methoxyphenyl)-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-ethoxypyridine-3-carboxamide?
The InChIKey is XATDPUNVKVOTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-3-21-15-11(5-4-8-17-15)14(19)18-10-6-7-13(20-2)12(16)9-10/h4-9H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-ethoxypyridine-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-2-ethoxypyridine-3-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 4558841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).