N-(2-hydroxyethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide

C22H22N2O4 — CID 23245673

IUPACN-(2-hydroxyethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide
SMILESO=C(NCCO)c1nccc(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C22H22N2O4/c25-14-13-24-22(26)20-21(28-16-18-9-5-2-6-10-18)19(11-12-23-20)27-15-17-7-3-1-4-8-17/h1-12,25H,13-16H2,(H,24,26)
InChIKeyPBEZKOHPHQVAMB-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.96
Rot. Bonds9

About N-(2-hydroxyethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide

N-(2-hydroxyethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide (PubChem CID 23245673) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide
PubChem CID23245673
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-(2-hydroxyethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide
SMILESO=C(NCCO)c1nccc(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C22H22N2O4/c25-14-13-24-22(26)20-21(28-16-18-9-5-2-6-10-18)19(11-12-23-20)27-15-17-7-3-1-4-8-17/h1-12,25H,13-16H2,(H,24,26)
InChIKeyPBEZKOHPHQVAMB-UHFFFAOYSA-N
XLogP2.96
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3,4-bis(phenylmethoxy)-2-pyridinyl]methanol
CID 11324699
N-(2-hydroxyethyl)-4-phenylmethoxybenzamide
CID 10825986
3,4-bis(phenylmethoxy)pyridine-2-carbaldehyde
CID 23245667
N-(2-hydroxyethyl)-3,5-bis(phenylmethoxy)benzamide
CID 171338561
3-hydroxy-4-methoxy-N-(2-phenylethyl)pyridine-2-carboxamide
CID 21088902
N-(2-hydroxyethyl)-5-phenyl-3-phenylmethoxythiophene-2-carboxamide
CID 78888376
4,7-bis(phenylmethoxy)-1,10-phenanthroline
CID 23134911
N-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide
CID 3289624
N-(2-hydroxyethyl)-4-[(2-phenylmethoxyphenyl)methylsulfanyl]benzamide
CID 18789573
4-phenylmethoxyquinoline
CID 11299312
3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid
CID 54512111
4-bromo-3-phenylmethoxypyridine-2-carboxylic acid;methane
CID 145157389

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide (CID 23245673) is N-(2-hydroxyethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide is O=C(NCCO)c1nccc(OCc2ccccc2)c1OCc1ccccc1.
What is the InChIKey of N-(2-hydroxyethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide?
The InChIKey is PBEZKOHPHQVAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c25-14-13-24-22(26)20-21(28-16-18-9-5-2-6-10-18)19(11-12-23-20)27-15-17-7-3-1-4-8-17/h1-12,25H,13-16H2,(H,24,26).
What are the key properties of N-(2-hydroxyethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide?
N-(2-hydroxyethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 23245673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).