N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride

C12H16Cl2F3N3O — CID 119552569

IUPACN-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride
SMILESCN(C(=O)c1ccc(C(F)(F)F)cn1)C1CCNC1.Cl.Cl
InChIInChI=1S/C12H14F3N3O.2ClH/c1-18(9-4-5-16-7-9)11(19)10-3-2-8(6-17-10)12(13,14)15;;/h2-3,6,9,16H,4-5,7H2,1H3;2*1H
InChIKeySIUMUIDOZKMXAH-UHFFFAOYSA-N
MW346.18 g/mol
LogP2.38
Rot. Bonds2

About N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride

N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride (PubChem CID 119552569) has the molecular formula C12H16Cl2F3N3O and a molecular weight of 346.18 g/mol. Its IUPAC name is N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride
PubChem CID119552569
Molecular FormulaC12H16Cl2F3N3O
Molecular Weight346.18 g/mol
Exact Mass345.06
IUPAC NameN-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride
SMILESCN(C(=O)c1ccc(C(F)(F)F)cn1)C1CCNC1.Cl.Cl
InChIInChI=1S/C12H14F3N3O.2ClH/c1-18(9-4-5-16-7-9)11(19)10-3-2-8(6-17-10)12(13,14)15;;/h2-3,6,9,16H,4-5,7H2,1H3;2*1H
InChIKeySIUMUIDOZKMXAH-UHFFFAOYSA-N
XLogP2.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115737122
5-cyano-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 63724260
N-ethyl-N-piperidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909185
N-methyl-N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide;dihydrochloride
CID 119441427
N-methyl-5-propan-2-yl-N-pyrrolidin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 119552693
2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide
CID 124517058
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115753
N-(azepan-4-yl)-5-fluoro-N-methylpyridine-2-carboxamide
CID 107172496
N-methyl-N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119553730
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide;hydrochloride
CID 119553397
N-(azetidin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115737184

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride?
The IUPAC name of N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride (CID 119552569) is N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride is CN(C(=O)c1ccc(C(F)(F)F)cn1)C1CCNC1.Cl.Cl.
What is the InChIKey of N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride?
The InChIKey is SIUMUIDOZKMXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O.2ClH/c1-18(9-4-5-16-7-9)11(19)10-3-2-8(6-17-10)12(13,14)15;;/h2-3,6,9,16H,4-5,7H2,1H3;2*1H.
What are the key properties of N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride?
N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride has a molecular weight of 346.18 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119552569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).