N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide

C24H21F3N4O4 — CID 90692247

IUPACN-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2(C(=O)NCc3ccc(Oc4ccc(O)cc4C(F)(F)F)cn3)CC2)cn1
InChIInChI=1S/C24H21F3N4O4/c1-14-2-3-15(11-28-14)21(33)31-23(8-9-23)22(34)30-12-16-4-6-18(13-29-16)35-20-7-5-17(32)10-19(20)24(25,26)27/h2-7,10-11,13,32H,8-9,12H2,1H3,(H,30,34)(H,31,33)
InChIKeyFTJWSMGLFCMBAM-UHFFFAOYSA-N
MW486.45 g/mol
LogP3.88
Rot. Bonds7

About N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide

N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide (PubChem CID 90692247) has the molecular formula C24H21F3N4O4 and a molecular weight of 486.45 g/mol. Its IUPAC name is N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide
PubChem CID90692247
Molecular FormulaC24H21F3N4O4
Molecular Weight486.45 g/mol
Exact Mass486.15
IUPAC NameN-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2(C(=O)NCc3ccc(Oc4ccc(O)cc4C(F)(F)F)cn3)CC2)cn1
InChIInChI=1S/C24H21F3N4O4/c1-14-2-3-15(11-28-14)21(33)31-23(8-9-23)22(34)30-12-16-4-6-18(13-29-16)35-20-7-5-17(32)10-19(20)24(25,26)27/h2-7,10-11,13,32H,8-9,12H2,1H3,(H,30,34)(H,31,33)
InChIKeyFTJWSMGLFCMBAM-UHFFFAOYSA-N
XLogP3.88
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.45
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide with MolForge

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Related Compounds

N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide
CID 90848760
N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyridazine-4-carboxamide
CID 46899287
5-amino-N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide
CID 46898751
2-chloro-N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-1,3-thiazole-5-carboxamide
CID 46898753
5-amino-N-[1-[[5-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide
CID 70854611
5-chloro-N-[1-[[5-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide
CID 70854608
N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]furan-2-carboxamide
CID 46898506
1-[(2-amino-2-methylpropanoyl)amino]-N-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 70854638
N-[1-[[5-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-2H-triazole-4-carboxamide
CID 70854646
6-chloro-N-[1-[[5-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyridine-2-carboxamide
CID 89035809
N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide
CID 46899377
N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-3-oxocyclopentane-1-carboxamide
CID 46898219

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide (CID 90692247) is N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NC2(C(=O)NCc3ccc(Oc4ccc(O)cc4C(F)(F)F)cn3)CC2)cn1.
What is the InChIKey of N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide?
The InChIKey is FTJWSMGLFCMBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O4/c1-14-2-3-15(11-28-14)21(33)31-23(8-9-23)22(34)30-12-16-4-6-18(13-29-16)35-20-7-5-17(32)10-19(20)24(25,26)27/h2-7,10-11,13,32H,8-9,12H2,1H3,(H,30,34)(H,31,33).
What are the key properties of N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide?
N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide has a molecular weight of 486.45 g/mol, XLogP of 3.88, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 90692247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).