N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide

C18H18N4O2 — CID 167973392

IUPACN-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCC(O)c1ccc(CNC(=O)c2ccc(-c3cn[nH]c3)cn2)cc1
InChIInChI=1S/C18H18N4O2/c1-12(23)14-4-2-13(3-5-14)8-20-18(24)17-7-6-15(9-19-17)16-10-21-22-11-16/h2-7,9-12,23H,8H2,1H3,(H,20,24)(H,21,22)
InChIKeyZUQXBMGLVKACPX-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.45
Rot. Bonds5

About N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide

N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 167973392) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide
PubChem CID167973392
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCC(O)c1ccc(CNC(=O)c2ccc(-c3cn[nH]c3)cn2)cc1
InChIInChI=1S/C18H18N4O2/c1-12(23)14-4-2-13(3-5-14)8-20-18(24)17-7-6-15(9-19-17)16-10-21-22-11-16/h2-7,9-12,23H,8H2,1H3,(H,20,24)(H,21,22)
InChIKeyZUQXBMGLVKACPX-UHFFFAOYSA-N
XLogP2.45
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide (CID 167973392) is N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide is CC(O)c1ccc(CNC(=O)c2ccc(-c3cn[nH]c3)cn2)cc1.
What is the InChIKey of N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is ZUQXBMGLVKACPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12(23)14-4-2-13(3-5-14)8-20-18(24)17-7-6-15(9-19-17)16-10-21-22-11-16/h2-7,9-12,23H,8H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 167973392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).