2-(cyclopropylamino)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide

C12H14F3N3O — CID 99934472

IUPAC2-(cyclopropylamino)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide
SMILESO=C(CNC1CC1)N[C@@H](c1cccnc1)C(F)(F)F
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)11(8-2-1-5-16-6-8)18-10(19)7-17-9-3-4-9/h1-2,5-6,9,11,17H,3-4,7H2,(H,18,19)/t11-/m0/s1
InChIKeyZDDLZUPEXUZXMW-NSHDSACASA-N
MW273.26 g/mol
LogP1.55
Rot. Bonds5

About 2-(cyclopropylamino)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide

2-(cyclopropylamino)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide (PubChem CID 99934472) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide
PubChem CID99934472
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name2-(cyclopropylamino)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide
SMILESO=C(CNC1CC1)N[C@@H](c1cccnc1)C(F)(F)F
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)11(8-2-1-5-16-6-8)18-10(19)7-17-9-3-4-9/h1-2,5-6,9,11,17H,3-4,7H2,(H,18,19)/t11-/m0/s1
InChIKeyZDDLZUPEXUZXMW-NSHDSACASA-N
XLogP1.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 81404213
2-(1-ethylpiperidin-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)acetamide
CID 72884358
2-(cyclopropylamino)-N-[2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]acetamide
CID 86784389
N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]hydroxylamine
CID 131036778
3-(cyclopropylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404464
2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine
CID 55273393
N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 77081558
N-benzhydryl-2-(cyclopropylamino)acetamide
CID 60647106
1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoro-1-pyridin-3-ylethyl)urea
CID 118776279
N-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 81404358
2-(ethylamino)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
CID 72895592
4-chloro-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide
CID 97433684

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide (CID 99934472) is 2-(cyclopropylamino)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide is O=C(CNC1CC1)N[C@@H](c1cccnc1)C(F)(F)F.
What is the InChIKey of 2-(cyclopropylamino)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide?
The InChIKey is ZDDLZUPEXUZXMW-NSHDSACASA-N. The full InChI is InChI=1S/C12H14F3N3O/c13-12(14,15)11(8-2-1-5-16-6-8)18-10(19)7-17-9-3-4-9/h1-2,5-6,9,11,17H,3-4,7H2,(H,18,19)/t11-/m0/s1.
What are the key properties of 2-(cyclopropylamino)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide?
2-(cyclopropylamino)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide has a molecular weight of 273.26 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide is sourced from PubChem (CID 99934472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).