N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-3-oxocyclopentane-1-carboxamide

C24H24F3N3O5 — CID 46898219

IUPACN-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-3-oxocyclopentane-1-carboxamide
SMILESCOc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)C4CCC(=O)C4)CC3)nc2)c(C(F)(F)F)c1
InChIInChI=1S/C24H24F3N3O5/c1-34-17-6-7-20(19(11-17)24(25,26)27)35-18-5-3-15(28-13-18)12-29-22(33)23(8-9-23)30-21(32)14-2-4-16(31)10-14/h3,5-7,11,13-14H,2,4,8-10,12H2,1H3,(H,29,33)(H,30,32)
InChIKeyXZNHUGINLHJQPQ-UHFFFAOYSA-N
MW491.47 g/mol
LogP3.54
Rot. Bonds8

About N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-3-oxocyclopentane-1-carboxamide

N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-3-oxocyclopentane-1-carboxamide (PubChem CID 46898219) has the molecular formula C24H24F3N3O5 and a molecular weight of 491.47 g/mol. Its IUPAC name is N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-3-oxocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-3-oxocyclopentane-1-carboxamide
PubChem CID46898219
Molecular FormulaC24H24F3N3O5
Molecular Weight491.47 g/mol
Exact Mass491.17
IUPAC NameN-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-3-oxocyclopentane-1-carboxamide
SMILESCOc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)C4CCC(=O)C4)CC3)nc2)c(C(F)(F)F)c1
InChIInChI=1S/C24H24F3N3O5/c1-34-17-6-7-20(19(11-17)24(25,26)27)35-18-5-3-15(28-13-18)12-29-22(33)23(8-9-23)30-21(32)14-2-4-16(31)10-14/h3,5-7,11,13-14H,2,4,8-10,12H2,1H3,(H,29,33)(H,30,32)
InChIKeyXZNHUGINLHJQPQ-UHFFFAOYSA-N
XLogP3.54
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.47
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-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
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]furan-2-carboxamide
CID 46898506
1-[(4-imino-2-oxopentanoyl)amino]-N-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 91022559
N-[1-[[5-[4-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-methylpyridine-3-carboxamide
CID 90692247
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-hydroxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide
CID 90848760
N-[1-[[5-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-2H-triazole-4-carboxamide
CID 70854646

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-3-oxocyclopentane-1-carboxamide?
The IUPAC name of N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-3-oxocyclopentane-1-carboxamide (CID 46898219) is N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-3-oxocyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-3-oxocyclopentane-1-carboxamide?
The canonical SMILES for N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-3-oxocyclopentane-1-carboxamide is COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)C4CCC(=O)C4)CC3)nc2)c(C(F)(F)F)c1.
What is the InChIKey of N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-3-oxocyclopentane-1-carboxamide?
The InChIKey is XZNHUGINLHJQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O5/c1-34-17-6-7-20(19(11-17)24(25,26)27)35-18-5-3-15(28-13-18)12-29-22(33)23(8-9-23)30-21(32)14-2-4-16(31)10-14/h3,5-7,11,13-14H,2,4,8-10,12H2,1H3,(H,29,33)(H,30,32).
What are the key properties of N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-3-oxocyclopentane-1-carboxamide?
N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-3-oxocyclopentane-1-carboxamide has a molecular weight of 491.47 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-3-oxocyclopentane-1-carboxamide is sourced from PubChem (CID 46898219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).