4-(1-tert-butylpyrazol-4-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]-5-methylpyridine-2-carboxamide

C22H24F2N4O2 — CID 171682631

IUPAC4-(1-tert-butylpyrazol-4-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]-5-methylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)NCc2ccccc2OC(F)F)cc1-c1cnn(C(C)(C)C)c1
InChIInChI=1S/C22H24F2N4O2/c1-14-10-25-18(9-17(14)16-12-27-28(13-16)22(2,3)4)20(29)26-11-15-7-5-6-8-19(15)30-21(23)24/h5-10,12-13,21H,11H2,1-4H3,(H,26,29)
InChIKeyGRMZWTAZIHVXBK-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.54
Rot. Bonds6

About 4-(1-tert-butylpyrazol-4-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]-5-methylpyridine-2-carboxamide

4-(1-tert-butylpyrazol-4-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]-5-methylpyridine-2-carboxamide (PubChem CID 171682631) has the molecular formula C22H24F2N4O2 and a molecular weight of 414.46 g/mol. Its IUPAC name is 4-(1-tert-butylpyrazol-4-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1-tert-butylpyrazol-4-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]-5-methylpyridine-2-carboxamide
PubChem CID171682631
Molecular FormulaC22H24F2N4O2
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Name4-(1-tert-butylpyrazol-4-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]-5-methylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)NCc2ccccc2OC(F)F)cc1-c1cnn(C(C)(C)C)c1
InChIInChI=1S/C22H24F2N4O2/c1-14-10-25-18(9-17(14)16-12-27-28(13-16)22(2,3)4)20(29)26-11-15-7-5-6-8-19(15)30-21(23)24/h5-10,12-13,21H,11H2,1-4H3,(H,26,29)
InChIKeyGRMZWTAZIHVXBK-UHFFFAOYSA-N
XLogP4.54
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-methyl-2-[4-(2-methylphenyl)pyrazol-1-yl]propanamide
CID 71447785
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CID 41369321
3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide
CID 46492035
1-tert-butyl-3-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide
CID 55738342
(2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide
CID 103929683
N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide
CID 107358541
N-[[2-(difluoromethoxy)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 87008423
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119700388
2-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 103754084
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 30462324
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 18143923
N-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 39294946

Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylpyrazol-4-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]-5-methylpyridine-2-carboxamide?
The IUPAC name of 4-(1-tert-butylpyrazol-4-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]-5-methylpyridine-2-carboxamide (CID 171682631) is 4-(1-tert-butylpyrazol-4-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]-5-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-(1-tert-butylpyrazol-4-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]-5-methylpyridine-2-carboxamide?
The canonical SMILES for 4-(1-tert-butylpyrazol-4-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]-5-methylpyridine-2-carboxamide is Cc1cnc(C(=O)NCc2ccccc2OC(F)F)cc1-c1cnn(C(C)(C)C)c1.
What is the InChIKey of 4-(1-tert-butylpyrazol-4-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]-5-methylpyridine-2-carboxamide?
The InChIKey is GRMZWTAZIHVXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O2/c1-14-10-25-18(9-17(14)16-12-27-28(13-16)22(2,3)4)20(29)26-11-15-7-5-6-8-19(15)30-21(23)24/h5-10,12-13,21H,11H2,1-4H3,(H,26,29).
What are the key properties of 4-(1-tert-butylpyrazol-4-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]-5-methylpyridine-2-carboxamide?
4-(1-tert-butylpyrazol-4-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]-5-methylpyridine-2-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylpyrazol-4-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 171682631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).