N-(2,2-difluorocyclohexyl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide

C23H24F2N4O — CID 118663243

IUPACN-(2,2-difluorocyclohexyl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CCCCC2(F)F)cc1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H24F2N4O/c1-16-15-26-20(22(30)28-21-5-2-3-10-23(21,24)25)14-18(16)13-17-6-8-19(9-7-17)29-12-4-11-27-29/h4,6-9,11-12,14-15,21H,2-3,5,10,13H2,1H3,(H,28,30)
InChIKeyZZIOIIBGOJNOLO-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.47
Rot. Bonds5

About N-(2,2-difluorocyclohexyl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide

N-(2,2-difluorocyclohexyl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 118663243) has the molecular formula C23H24F2N4O and a molecular weight of 410.47 g/mol. Its IUPAC name is N-(2,2-difluorocyclohexyl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluorocyclohexyl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
PubChem CID118663243
Molecular FormulaC23H24F2N4O
Molecular Weight410.47 g/mol
Exact Mass410.19
IUPAC NameN-(2,2-difluorocyclohexyl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CCCCC2(F)F)cc1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H24F2N4O/c1-16-15-26-20(22(30)28-21-5-2-3-10-23(21,24)25)14-18(16)13-17-6-8-19(9-7-17)29-12-4-11-27-29/h4,6-9,11-12,14-15,21H,2-3,5,10,13H2,1H3,(H,28,30)
InChIKeyZZIOIIBGOJNOLO-UHFFFAOYSA-N
XLogP4.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-difluorocyclopentyl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 118663229
N-[3-(hydroxymethyl)cyclobutyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 118663267
4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridine-2-carboxamide
CID 129017559
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
N-[(2S)-2-hydroxycyclopentyl]-5-methoxy-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 129045248
formic acid;5-methyl-N-(5-methylpyrimidin-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 159700892
2-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 137404570
5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 129017479
1-[5-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone
CID 139380585
N-[(3S,4S)-4-hydroxyoxan-3-yl]-5,6-dimethyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 129017457
3-fluoro-N-(2-hydroxycyclohexyl)-2-methoxy-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 137404593

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorocyclohexyl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-(2,2-difluorocyclohexyl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide (CID 118663243) is N-(2,2-difluorocyclohexyl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluorocyclohexyl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(2,2-difluorocyclohexyl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide is Cc1cnc(C(=O)NC2CCCCC2(F)F)cc1Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(2,2-difluorocyclohexyl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is ZZIOIIBGOJNOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O/c1-16-15-26-20(22(30)28-21-5-2-3-10-23(21,24)25)14-18(16)13-17-6-8-19(9-7-17)29-12-4-11-27-29/h4,6-9,11-12,14-15,21H,2-3,5,10,13H2,1H3,(H,28,30).
What are the key properties of N-(2,2-difluorocyclohexyl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
N-(2,2-difluorocyclohexyl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorocyclohexyl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 118663243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).