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

C18H23F2N3O3 — CID 142794290

IUPAC3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2-difluoroethoxy)pyridine-2-carboxamide
SMILESC[C@](CC(N)=O)(c1c(C(N)=O)ncc(C2CC2)c1OCC(F)F)C1CC1
InChIInChI=1S/C18H23F2N3O3/c1-18(6-13(21)24,10-4-5-10)14-15(17(22)25)23-7-11(9-2-3-9)16(14)26-8-12(19)20/h7,9-10,12H,2-6,8H2,1H3,(H2,21,24)(H2,22,25)/t18-/m1/s1
InChIKeyQCUBZTZKUDWGPT-GOSISDBHSA-N
MW367.40 g/mol
LogP2.24
Rot. Bonds9

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

3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2-difluoroethoxy)pyridine-2-carboxamide (PubChem CID 142794290) has the molecular formula C18H23F2N3O3 and a molecular weight of 367.40 g/mol. Its IUPAC name is 3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2-difluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2-difluoroethoxy)pyridine-2-carboxamide
PubChem CID142794290
Molecular FormulaC18H23F2N3O3
Molecular Weight367.40 g/mol
Exact Mass367.17
IUPAC Name3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2-difluoroethoxy)pyridine-2-carboxamide
SMILESC[C@](CC(N)=O)(c1c(C(N)=O)ncc(C2CC2)c1OCC(F)F)C1CC1
InChIInChI=1S/C18H23F2N3O3/c1-18(6-13(21)24,10-4-5-10)14-15(17(22)25)23-7-11(9-2-3-9)16(14)26-8-12(19)20/h7,9-10,12H,2-6,8H2,1H3,(H2,21,24)(H2,22,25)/t18-/m1/s1
InChIKeyQCUBZTZKUDWGPT-GOSISDBHSA-N
XLogP2.24
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.24
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-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 142794307
(3S)-3-[[amino-[5-cyclopropyl-4-(2,2-difluoroethoxy)-2-pyridinyl]methylidene]amino]-3-cyclopropylbutanamide
CID 150418445
N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-5-cyclopropyl-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide
CID 90204486
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
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
1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]propan-1-one
CID 174687394
methyl 5-cyclopropyl-3,4-dimethoxypyridine-2-carboxylate
CID 169292722
N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-4-cyclopropyl-3-(1,2,2-trifluoroethoxy)benzamide
CID 175412561
(3R)-3-cyclopropyl-5-(4-cyclopropyl-3-propan-2-yloxyphenyl)-3-methyl-5-oxopentanamide
CID 160992825
5-cyclopropyl-N-[2-cyclopropyl-4-(methylamino)-4-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide
CID 90204924
(3R)-3-cyclopropyl-5-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-5-oxopentanamide
CID 161363088

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2-difluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of 3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2-difluoroethoxy)pyridine-2-carboxamide (CID 142794290) is 3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2-difluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2-difluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for 3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2-difluoroethoxy)pyridine-2-carboxamide is C[C@](CC(N)=O)(c1c(C(N)=O)ncc(C2CC2)c1OCC(F)F)C1CC1.
What is the InChIKey of 3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2-difluoroethoxy)pyridine-2-carboxamide?
The InChIKey is QCUBZTZKUDWGPT-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23F2N3O3/c1-18(6-13(21)24,10-4-5-10)14-15(17(22)25)23-7-11(9-2-3-9)16(14)26-8-12(19)20/h7,9-10,12H,2-6,8H2,1H3,(H2,21,24)(H2,22,25)/t18-/m1/s1.
What are the key properties of 3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2-difluoroethoxy)pyridine-2-carboxamide?
3-[(2R)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2-difluoroethoxy)pyridine-2-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 2.24, 9 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-difluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 142794290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).