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

C22H24N4O2 — CID 118663267

IUPACN-[3-(hydroxymethyl)cyclobutyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CC(CO)C2)cc1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C22H24N4O2/c1-15-13-23-21(22(28)25-19-10-17(11-19)14-27)12-18(15)9-16-3-5-20(6-4-16)26-8-2-7-24-26/h2-8,12-13,17,19,27H,9-11,14H2,1H3,(H,25,28)
InChIKeyVRUVNEYVVULAST-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.67
Rot. Bonds6

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

N-[3-(hydroxymethyl)cyclobutyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 118663267) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)cyclobutyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)cyclobutyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
PubChem CID118663267
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[3-(hydroxymethyl)cyclobutyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CC(CO)C2)cc1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C22H24N4O2/c1-15-13-23-21(22(28)25-19-10-17(11-19)14-27)12-18(15)9-16-3-5-20(6-4-16)26-8-2-7-24-26/h2-8,12-13,17,19,27H,9-11,14H2,1H3,(H,25,28)
InChIKeyVRUVNEYVVULAST-UHFFFAOYSA-N
XLogP2.67
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-difluorocyclopentyl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 118663229
N-(2,2-difluorocyclohexyl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 118663243
formic acid;5-methyl-N-(5-methylpyrimidin-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 159700892
4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridine-2-carboxamide
CID 129017559
N-[(2S)-2-hydroxycyclopentyl]-5-methoxy-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 129045248
5-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 129017486
5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 129017476
1-[5-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone
CID 139380585
5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 129017479
N-[(3S,4S)-4-hydroxyoxan-3-yl]-5,6-dimethyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 129017457
2-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 137404570
1-[5-(difluoromethoxy)-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone
CID 129045080

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)cyclobutyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)cyclobutyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide (CID 118663267) is N-[3-(hydroxymethyl)cyclobutyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)cyclobutyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)cyclobutyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide is Cc1cnc(C(=O)NC2CC(CO)C2)cc1Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[3-(hydroxymethyl)cyclobutyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is VRUVNEYVVULAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-13-23-21(22(28)25-19-10-17(11-19)14-27)12-18(15)9-16-3-5-20(6-4-16)26-8-2-7-24-26/h2-8,12-13,17,19,27H,9-11,14H2,1H3,(H,25,28).
What are the key properties of N-[3-(hydroxymethyl)cyclobutyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
N-[3-(hydroxymethyl)cyclobutyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)cyclobutyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 118663267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).