4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide

C22H16F6N4O2 — CID 122180068

IUPAC4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)ccn1
InChIInChI=1S/C22H16F6N4O2/c1-29-19(33)18-8-13(6-7-30-18)12-2-4-16(5-3-12)31-20(34)32-17-10-14(21(23,24)25)9-15(11-17)22(26,27)28/h2-11H,1H3,(H,29,33)(H2,31,32,34)
InChIKeyJUKJNMPOVIQBNQ-UHFFFAOYSA-N
MW482.38 g/mol
LogP5.79
Rot. Bonds4

About 4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide

4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide (PubChem CID 122180068) has the molecular formula C22H16F6N4O2 and a molecular weight of 482.38 g/mol. Its IUPAC name is 4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide
PubChem CID122180068
Molecular FormulaC22H16F6N4O2
Molecular Weight482.38 g/mol
Exact Mass482.12
IUPAC Name4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)ccn1
InChIInChI=1S/C22H16F6N4O2/c1-29-19(33)18-8-13(6-7-30-18)12-2-4-16(5-3-12)31-20(34)32-17-10-14(21(23,24)25)9-15(11-17)22(26,27)28/h2-11H,1H3,(H,29,33)(H2,31,32,34)
InChIKeyJUKJNMPOVIQBNQ-UHFFFAOYSA-N
XLogP5.79
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.38
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 138743676
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
N'-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11236465
N-methyl-4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]indol-1-yl]pyridine-2-carboxamide
CID 162649978
N-methyl-4-[4-[[3-(1,1,2,2,2-pentafluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 131953278
1-(4-aminophenyl)-3-[3,5-bis(trifluoromethyl)phenyl]urea
CID 108897036
N-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 157417733
N-methyl-4-[3-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide
CID 11476310
methyl 4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 117222258
N-methyl-4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydroindol-1-yl]pyridine-2-carboxamide
CID 171035763
4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
CID 141417735

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide (CID 122180068) is 4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)ccn1.
What is the InChIKey of 4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide?
The InChIKey is JUKJNMPOVIQBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F6N4O2/c1-29-19(33)18-8-13(6-7-30-18)12-2-4-16(5-3-12)31-20(34)32-17-10-14(21(23,24)25)9-15(11-17)22(26,27)28/h2-11H,1H3,(H,29,33)(H2,31,32,34).
What are the key properties of 4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide?
4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide has a molecular weight of 482.38 g/mol, XLogP of 5.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 122180068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).