3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C18H22F3N3O3 — CID 142794307

IUPAC3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESC[C@](CC(N)=O)(c1c(C(N)=O)ncc(C2CC2)c1OCC(F)(F)F)C1CC1
InChIInChI=1S/C18H22F3N3O3/c1-17(6-12(22)25,10-4-5-10)13-14(16(23)26)24-7-11(9-2-3-9)15(13)27-8-18(19,20)21/h7,9-10H,2-6,8H2,1H3,(H2,22,25)(H2,23,26)/t17-/m1/s1
InChIKeyBHPNCOHZQQFQFD-QGZVFWFLSA-N
MW385.39 g/mol
LogP2.54
Rot. Bonds8

About 3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 142794307) has the molecular formula C18H22F3N3O3 and a molecular weight of 385.39 g/mol. Its IUPAC name is 3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID142794307
Molecular FormulaC18H22F3N3O3
Molecular Weight385.39 g/mol
Exact Mass385.16
IUPAC Name3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESC[C@](CC(N)=O)(c1c(C(N)=O)ncc(C2CC2)c1OCC(F)(F)F)C1CC1
InChIInChI=1S/C18H22F3N3O3/c1-17(6-12(22)25,10-4-5-10)13-14(16(23)26)24-7-11(9-2-3-9)15(13)27-8-18(19,20)21/h7,9-10H,2-6,8H2,1H3,(H2,22,25)(H2,23,26)/t17-/m1/s1
InChIKeyBHPNCOHZQQFQFD-QGZVFWFLSA-N
XLogP2.54
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2-difluoroethoxy)pyridine-2-carboxamide
CID 142794290
5-cyclobutyl-3-[(2R)-1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 142794309
3-[1-(5-amino-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 142794285
N-[(2S)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90205070
(3R)-3-cyclopropyl-5-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-5-oxopentanamide
CID 161363088
N-[(2S)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-4-cyclopropyl-3-(2,2,2-trifluoroethoxy)benzamide
CID 129216330
5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;2-methylpropan-2-amine
CID 158536635
3,5-dichloro-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 86647335
N-tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90204122
tert-butyl 3-cyclopropyl-3-[[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]butanoate
CID 90203437
N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-5-cyclopropyl-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide
CID 90204486
(3S)-3-[[amino-[5-cyclopropyl-4-(2,2-difluoroethoxy)-2-pyridinyl]methylidene]amino]-3-cyclopropylbutanamide
CID 150418445

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of 3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 142794307) is 3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for 3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is C[C@](CC(N)=O)(c1c(C(N)=O)ncc(C2CC2)c1OCC(F)(F)F)C1CC1.
What is the InChIKey of 3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is BHPNCOHZQQFQFD-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22F3N3O3/c1-17(6-12(22)25,10-4-5-10)13-14(16(23)26)24-7-11(9-2-3-9)15(13)27-8-18(19,20)21/h7,9-10H,2-6,8H2,1H3,(H2,22,25)(H2,23,26)/t17-/m1/s1.
What are the key properties of 3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 142794307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).