N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methoxypyridine-3-carboxamide

C15H15ClN2O3 — CID 111451178

IUPACN-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCC(O)c1ccccc1Cl
InChIInChI=1S/C15H15ClN2O3/c1-21-15-11(6-4-8-17-15)14(20)18-9-13(19)10-5-2-3-7-12(10)16/h2-8,13,19H,9H2,1H3,(H,18,20)
InChIKeyCSWKXNUADHBPNB-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.21
Rot. Bonds5

About N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methoxypyridine-3-carboxamide

N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methoxypyridine-3-carboxamide (PubChem CID 111451178) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methoxypyridine-3-carboxamide
PubChem CID111451178
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCC(O)c1ccccc1Cl
InChIInChI=1S/C15H15ClN2O3/c1-21-15-11(6-4-8-17-15)14(20)18-9-13(19)10-5-2-3-7-12(10)16/h2-8,13,19H,9H2,1H3,(H,18,20)
InChIKeyCSWKXNUADHBPNB-UHFFFAOYSA-N
XLogP2.21
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methoxypyridine-3-carboxamide (CID 111451178) is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)NCC(O)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is CSWKXNUADHBPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-21-15-11(6-4-8-17-15)14(20)18-9-13(19)10-5-2-3-7-12(10)16/h2-8,13,19H,9H2,1H3,(H,18,20).
What are the key properties of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methoxypyridine-3-carboxamide?
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 111451178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).