N-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C17H16F3N3O — CID 168909107

IUPACN-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(NC1CCNC1)c1cc(-c2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)13-3-1-2-11(8-13)12-4-7-22-15(9-12)16(24)23-14-5-6-21-10-14/h1-4,7-9,14,21H,5-6,10H2,(H,23,24)
InChIKeyLDKRNKZKARBTNP-UHFFFAOYSA-N
MW335.33 g/mol
LogP2.86
Rot. Bonds3

About N-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide

N-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 168909107) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID168909107
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC NameN-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(NC1CCNC1)c1cc(-c2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)13-3-1-2-11(8-13)12-4-7-22-15(9-12)16(24)23-14-5-6-21-10-14/h1-4,7-9,14,21H,5-6,10H2,(H,23,24)
InChIKeyLDKRNKZKARBTNP-UHFFFAOYSA-N
XLogP2.86
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pyrrolidin-3-yl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 168909169
N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide
CID 66883790
N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 119450033
N-cyclohexyl-1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 46104689
N-(azetidin-2-ylmethylsulfonyl)-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 167762976
N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 122441469
3-methyl-N-pyrrolidin-3-yl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119451225
N-cyclopentyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 42690054
1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 104645603
4-N-cyclopentyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109080812
N-(2-pyrrolidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119537157
2-bromo-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)benzamide
CID 104645323

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 168909107) is N-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(NC1CCNC1)c1cc(-c2cccc(C(F)(F)F)c2)ccn1.
What is the InChIKey of N-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is LDKRNKZKARBTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c18-17(19,20)13-3-1-2-11(8-13)12-4-7-22-15(9-12)16(24)23-14-5-6-21-10-14/h1-4,7-9,14,21H,5-6,10H2,(H,23,24).
What are the key properties of N-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
N-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 335.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 168909107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).