1-[(2-amino-2-methylpropanoyl)amino]-N-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methyl]cyclopropane-1-carboxamide

C22H25F3N4O4 — CID 70854638

IUPAC1-[(2-amino-2-methylpropanoyl)amino]-N-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)C(C)(C)N)CC3)nc2)c(C(F)(F)F)c1
InChIInChI=1S/C22H25F3N4O4/c1-20(2,26)18(30)29-21(8-9-21)19(31)28-11-13-4-5-15(12-27-13)33-17-7-6-14(32-3)10-16(17)22(23,24)25/h4-7,10,12H,8-9,11,26H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyUELMUPQYUFPVCK-UHFFFAOYSA-N
MW466.46 g/mol
LogP2.90
Rot. Bonds8

About 1-[(2-amino-2-methylpropanoyl)amino]-N-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methyl]cyclopropane-1-carboxamide

1-[(2-amino-2-methylpropanoyl)amino]-N-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methyl]cyclopropane-1-carboxamide (PubChem CID 70854638) has the molecular formula C22H25F3N4O4 and a molecular weight of 466.46 g/mol. Its IUPAC name is 1-[(2-amino-2-methylpropanoyl)amino]-N-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(2-amino-2-methylpropanoyl)amino]-N-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
PubChem CID70854638
Molecular FormulaC22H25F3N4O4
Molecular Weight466.46 g/mol
Exact Mass466.18
IUPAC Name1-[(2-amino-2-methylpropanoyl)amino]-N-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)C(C)(C)N)CC3)nc2)c(C(F)(F)F)c1
InChIInChI=1S/C22H25F3N4O4/c1-20(2,26)18(30)29-21(8-9-21)19(31)28-11-13-4-5-15(12-27-13)33-17-7-6-14(32-3)10-16(17)22(23,24)25/h4-7,10,12H,8-9,11,26H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyUELMUPQYUFPVCK-UHFFFAOYSA-N
XLogP2.90
TPSA115.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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]furan-2-carboxamide
CID 46898506
N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide
CID 46899377
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-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-3-oxocyclopentane-1-carboxamide
CID 46898219
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
N-[1-[[5-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-2H-triazole-4-carboxamide
CID 70854646
[4-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]thian-4-yl]carbamic acid
CID 67534795
6-chloro-N-[1-[[5-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyridine-2-carboxamide
CID 89035809

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-2-methylpropanoyl)amino]-N-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[(2-amino-2-methylpropanoyl)amino]-N-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methyl]cyclopropane-1-carboxamide (CID 70854638) is 1-[(2-amino-2-methylpropanoyl)amino]-N-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(2-amino-2-methylpropanoyl)amino]-N-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(2-amino-2-methylpropanoyl)amino]-N-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methyl]cyclopropane-1-carboxamide is COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)C(C)(C)N)CC3)nc2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[(2-amino-2-methylpropanoyl)amino]-N-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is UELMUPQYUFPVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O4/c1-20(2,26)18(30)29-21(8-9-21)19(31)28-11-13-4-5-15(12-27-13)33-17-7-6-14(32-3)10-16(17)22(23,24)25/h4-7,10,12H,8-9,11,26H2,1-3H3,(H,28,31)(H,29,30).
What are the key properties of 1-[(2-amino-2-methylpropanoyl)amino]-N-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methyl]cyclopropane-1-carboxamide?
1-[(2-amino-2-methylpropanoyl)amino]-N-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 466.46 g/mol, XLogP of 2.90, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-2-methylpropanoyl)amino]-N-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 70854638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).