2-amino-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(3,3-dimethylcyclobutyl)acetamide

C15H21F2N3O — CID 177351576

IUPAC2-amino-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(3,3-dimethylcyclobutyl)acetamide
SMILESC[C@@H](NC(=O)C(N)C1CC(C)(C)C1)c1ncc(F)cc1F
InChIInChI=1S/C15H21F2N3O/c1-8(13-11(17)4-10(16)7-19-13)20-14(21)12(18)9-5-15(2,3)6-9/h4,7-9,12H,5-6,18H2,1-3H3,(H,20,21)/t8-,12?/m1/s1
InChIKeyRUGRCQQKGZTDRC-SZSXPDSJSA-N
MW297.35 g/mol
LogP2.30
Rot. Bonds4

About 2-amino-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(3,3-dimethylcyclobutyl)acetamide

2-amino-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(3,3-dimethylcyclobutyl)acetamide (PubChem CID 177351576) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(3,3-dimethylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(3,3-dimethylcyclobutyl)acetamide
PubChem CID177351576
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name2-amino-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(3,3-dimethylcyclobutyl)acetamide
SMILESC[C@@H](NC(=O)C(N)C1CC(C)(C)C1)c1ncc(F)cc1F
InChIInChI=1S/C15H21F2N3O/c1-8(13-11(17)4-10(16)7-19-13)20-14(21)12(18)9-5-15(2,3)6-9/h4,7-9,12H,5-6,18H2,1-3H3,(H,20,21)/t8-,12?/m1/s1
InChIKeyRUGRCQQKGZTDRC-SZSXPDSJSA-N
XLogP2.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-[[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]amino]-1-(3,3-dimethylcyclobutyl)-2-oxoethyl]-5-fluorobenzamide
CID 177351608
(2R)-3-(1-bicyclo[1.1.1]pentanyl)-2-(4,6-difluoro-2-oxo-1H-quinolin-3-yl)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]propanamide
CID 177350467
(2R)-3-(1-bicyclo[1.1.1]pentanyl)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 177351915
(2S)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)acetamide
CID 177351554
tert-butyl N-[2-[[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]amino]-2-oxo-1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethyl]carbamate
CID 177351469
N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 171496897
3-(3,5-difluoro-2-pyridinyl)butanamide
CID 172777205
(2S)-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(7-fluoro-3-oxo-1,4-dihydroisoquinolin-2-yl)-3-morpholin-4-ylpropanamide
CID 177350108
N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 166933429
(2R)-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-fluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)-4-hydroxy-4-methylpentanamide
CID 177351029
(2R)-2-(5,6-difluoro-2-oxo-4H-1,3-benzoxazin-3-yl)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-3-phenylpropanamide
CID 177350045
(2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-[(3R)-oxolan-3-yl]acetamide
CID 177351916

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(3,3-dimethylcyclobutyl)acetamide?
The IUPAC name of 2-amino-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(3,3-dimethylcyclobutyl)acetamide (CID 177351576) is 2-amino-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(3,3-dimethylcyclobutyl)acetamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(3,3-dimethylcyclobutyl)acetamide?
The canonical SMILES for 2-amino-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(3,3-dimethylcyclobutyl)acetamide is C[C@@H](NC(=O)C(N)C1CC(C)(C)C1)c1ncc(F)cc1F.
What is the InChIKey of 2-amino-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(3,3-dimethylcyclobutyl)acetamide?
The InChIKey is RUGRCQQKGZTDRC-SZSXPDSJSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-8(13-11(17)4-10(16)7-19-13)20-14(21)12(18)9-5-15(2,3)6-9/h4,7-9,12H,5-6,18H2,1-3H3,(H,20,21)/t8-,12?/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(3,3-dimethylcyclobutyl)acetamide?
2-amino-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(3,3-dimethylcyclobutyl)acetamide has a molecular weight of 297.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(3,3-dimethylcyclobutyl)acetamide is sourced from PubChem (CID 177351576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).