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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Related Compounds

N-(2-amino-3-hydroxybutyl)-2-methoxypyridine-3-carboxamide
CID 64541044
N-(2,6-dichlorophenyl)-2-methoxypyridine-3-carboxamide
CID 110864324
2-methoxy-N-[(2S)-2-sulfamoylpropyl]pyridine-3-carboxamide
CID 97253087
N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide
CID 62873972
2-methoxy-N-[(2R)-2-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 51725711
(3S)-4-[(2-methoxypyridine-3-carbonyl)amino]-3-phenylbutanoate
CID 6999499
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
N-(2-hydroxy-2-methylpropyl)-2-methoxypyridine-3-carboxamide
CID 65109453
N-(3-bromo-2,2-dimethylpropyl)-2-methoxypyridine-3-carboxamide
CID 115364804
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721
N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide
CID 107318362
N-(4-cyanobutyl)-2-methoxypyridine-3-carboxamide
CID 63284776

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).