4-[4-[[5-(difluoromethyl)-2-pyrazol-1-ylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

C24H20F2N6O3 — CID 143211462

IUPAC4-[4-[[5-(difluoromethyl)-2-pyrazol-1-ylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)F)ccc3-n3cccn3)cc2)ccn1
InChIInChI=1S/C24H20F2N6O3/c1-27-23(33)20-14-18(9-11-28-20)35-17-6-4-16(5-7-17)30-24(34)31-19-13-15(22(25)26)3-8-21(19)32-12-2-10-29-32/h2-14,22H,1H3,(H,27,33)(H2,30,31,34)
InChIKeyHOGKJKXDQFUBRA-UHFFFAOYSA-N
MW478.46 g/mol
LogP5.00
Rot. Bonds7

About 4-[4-[[5-(difluoromethyl)-2-pyrazol-1-ylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[[5-(difluoromethyl)-2-pyrazol-1-ylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 143211462) has the molecular formula C24H20F2N6O3 and a molecular weight of 478.46 g/mol. Its IUPAC name is 4-[4-[[5-(difluoromethyl)-2-pyrazol-1-ylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[5-(difluoromethyl)-2-pyrazol-1-ylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID143211462
Molecular FormulaC24H20F2N6O3
Molecular Weight478.46 g/mol
Exact Mass478.16
IUPAC Name4-[4-[[5-(difluoromethyl)-2-pyrazol-1-ylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)F)ccc3-n3cccn3)cc2)ccn1
InChIInChI=1S/C24H20F2N6O3/c1-27-23(33)20-14-18(9-11-28-20)35-17-6-4-16(5-7-17)30-24(34)31-19-13-15(22(25)26)3-8-21(19)32-12-2-10-29-32/h2-14,22H,1H3,(H,27,33)(H2,30,31,34)
InChIKeyHOGKJKXDQFUBRA-UHFFFAOYSA-N
XLogP5.00
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.46
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[4-[[5-(difluoromethyl)-2-pyrazol-1-ylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

N-methyl-4-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 11540549
N-methyl-4-[4-[(2-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 56931255
4-[4-[(2-fluoro-5-iodophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 138743251
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
N-methyl-4-[4-[[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58919791
N-methyl-4-[4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 11720856
4-[4-[(3-chlorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002051
N-methyl-4-[4-[[2-methyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 143505922
4-[4-[[2-hydroxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58919812
4-[4-(2H-benzotriazol-5-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide
CID 10318982
4-[4-[(2-chloro-6-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 139036241
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[5-(difluoromethyl)-2-pyrazol-1-ylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[[5-(difluoromethyl)-2-pyrazol-1-ylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (CID 143211462) is 4-[4-[[5-(difluoromethyl)-2-pyrazol-1-ylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[[5-(difluoromethyl)-2-pyrazol-1-ylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[[5-(difluoromethyl)-2-pyrazol-1-ylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)F)ccc3-n3cccn3)cc2)ccn1.
What is the InChIKey of 4-[4-[[5-(difluoromethyl)-2-pyrazol-1-ylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is HOGKJKXDQFUBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O3/c1-27-23(33)20-14-18(9-11-28-20)35-17-6-4-16(5-7-17)30-24(34)31-19-13-15(22(25)26)3-8-21(19)32-12-2-10-29-32/h2-14,22H,1H3,(H,27,33)(H2,30,31,34).
What are the key properties of 4-[4-[[5-(difluoromethyl)-2-pyrazol-1-ylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[[5-(difluoromethyl)-2-pyrazol-1-ylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 478.46 g/mol, XLogP of 5.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[5-(difluoromethyl)-2-pyrazol-1-ylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 143211462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).