N-(3-hydroxyoxan-4-yl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide

C22H24N4O3 — CID 118663218

IUPACN-(3-hydroxyoxan-4-yl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CCOCC2O)cc1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C22H24N4O3/c1-15-13-23-20(22(28)25-19-7-10-29-14-21(19)27)12-17(15)11-16-3-5-18(6-4-16)26-9-2-8-24-26/h2-6,8-9,12-13,19,21,27H,7,10-11,14H2,1H3,(H,25,28)
InChIKeyHARBEESYXGLNFQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.05
Rot. Bonds5

About N-(3-hydroxyoxan-4-yl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide

N-(3-hydroxyoxan-4-yl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 118663218) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(3-hydroxyoxan-4-yl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyoxan-4-yl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
PubChem CID118663218
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(3-hydroxyoxan-4-yl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CCOCC2O)cc1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C22H24N4O3/c1-15-13-23-20(22(28)25-19-7-10-29-14-21(19)27)12-17(15)11-16-3-5-18(6-4-16)26-9-2-8-24-26/h2-6,8-9,12-13,19,21,27H,7,10-11,14H2,1H3,(H,25,28)
InChIKeyHARBEESYXGLNFQ-UHFFFAOYSA-N
XLogP2.05
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyoxan-4-yl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-(3-hydroxyoxan-4-yl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide (CID 118663218) is N-(3-hydroxyoxan-4-yl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-hydroxyoxan-4-yl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(3-hydroxyoxan-4-yl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide is Cc1cnc(C(=O)NC2CCOCC2O)cc1Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(3-hydroxyoxan-4-yl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is HARBEESYXGLNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-13-23-20(22(28)25-19-7-10-29-14-21(19)27)12-17(15)11-16-3-5-18(6-4-16)26-9-2-8-24-26/h2-6,8-9,12-13,19,21,27H,7,10-11,14H2,1H3,(H,25,28).
What are the key properties of N-(3-hydroxyoxan-4-yl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
N-(3-hydroxyoxan-4-yl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyoxan-4-yl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 118663218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).