2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride

C12H15ClF3N3O2 — CID 119399136

IUPAC2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C12H14F3N3O2.ClH/c13-12(14,15)8-3-9(11(20)17-5-8)18-10(19)6-16-4-7-1-2-7;/h3,5,7,16H,1-2,4,6H2,(H,17,20)(H,18,19);1H
InChIKeyGUKAHGUIPSUQPH-UHFFFAOYSA-N
MW325.72 g/mol
LogP1.75
Rot. Bonds5

About 2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride (PubChem CID 119399136) has the molecular formula C12H15ClF3N3O2 and a molecular weight of 325.72 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride
PubChem CID119399136
Molecular FormulaC12H15ClF3N3O2
Molecular Weight325.72 g/mol
Exact Mass325.08
IUPAC Name2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C12H14F3N3O2.ClH/c13-12(14,15)8-3-9(11(20)17-5-8)18-10(19)6-16-4-7-1-2-7;/h3,5,7,16H,1-2,4,6H2,(H,17,20)(H,18,19);1H
InChIKeyGUKAHGUIPSUQPH-UHFFFAOYSA-N
XLogP1.75
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride (CID 119399136) is 2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride is Cl.O=C(CNCC1CC1)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride?
The InChIKey is GUKAHGUIPSUQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2.ClH/c13-12(14,15)8-3-9(11(20)17-5-8)18-10(19)6-16-4-7-1-2-7;/h3,5,7,16H,1-2,4,6H2,(H,17,20)(H,18,19);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride has a molecular weight of 325.72 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 119399136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).