N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-methylpyridine-3-carboxamide

C16H16F2N2O3 — CID 111424671

IUPACN-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(O)c2ccc(OC(F)F)cc2)cn1
InChIInChI=1S/C16H16F2N2O3/c1-10-2-3-12(8-19-10)15(22)20-9-14(21)11-4-6-13(7-5-11)23-16(17)18/h2-8,14,16,21H,9H2,1H3,(H,20,22)
InChIKeyZOEWPPAFURPBKK-UHFFFAOYSA-N
MW322.31 g/mol
LogP2.45
Rot. Bonds6

About N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-methylpyridine-3-carboxamide

N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-methylpyridine-3-carboxamide (PubChem CID 111424671) has the molecular formula C16H16F2N2O3 and a molecular weight of 322.31 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-methylpyridine-3-carboxamide
PubChem CID111424671
Molecular FormulaC16H16F2N2O3
Molecular Weight322.31 g/mol
Exact Mass322.11
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(O)c2ccc(OC(F)F)cc2)cn1
InChIInChI=1S/C16H16F2N2O3/c1-10-2-3-12(8-19-10)15(22)20-9-14(21)11-4-6-13(7-5-11)23-16(17)18/h2-8,14,16,21H,9H2,1H3,(H,20,22)
InChIKeyZOEWPPAFURPBKK-UHFFFAOYSA-N
XLogP2.45
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-methylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-methylbenzamide
CID 111424679
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86967193
N-[(2R)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 83031410
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide
CID 111424743
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-ylacetamide
CID 111424709
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide
CID 110929854
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
CID 111458227
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1H-indazole-7-carboxamide
CID 111424764
N-(2-ethylbutyl)-6-methylpyridine-3-carboxamide
CID 115612931
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47178927
1-(2-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]pyrazole-4-carboxamide
CID 86967160
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-yloxybenzamide
CID 86967156

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-methylpyridine-3-carboxamide (CID 111424671) is N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCC(O)c2ccc(OC(F)F)cc2)cn1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is ZOEWPPAFURPBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3/c1-10-2-3-12(8-19-10)15(22)20-9-14(21)11-4-6-13(7-5-11)23-16(17)18/h2-8,14,16,21H,9H2,1H3,(H,20,22).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-methylpyridine-3-carboxamide?
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 322.31 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 111424671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).