N-cyclopropyl-2,6-bis(trifluoromethyl)pyridine-4-carboxamide

C11H8F6N2O — CID 30772760

IUPACN-cyclopropyl-2,6-bis(trifluoromethyl)pyridine-4-carboxamide
SMILESO=C(NC1CC1)c1cc(C(F)(F)F)nc(C(F)(F)F)c1
InChIInChI=1S/C11H8F6N2O/c12-10(13,14)7-3-5(9(20)18-6-1-2-6)4-8(19-7)11(15,16)17/h3-4,6H,1-2H2,(H,18,20)
InChIKeyHHRWGRZSBKAWCN-UHFFFAOYSA-N
MW298.19 g/mol
LogP3.01
Rot. Bonds2

About N-cyclopropyl-2,6-bis(trifluoromethyl)pyridine-4-carboxamide

N-cyclopropyl-2,6-bis(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 30772760) has the molecular formula C11H8F6N2O and a molecular weight of 298.19 g/mol. Its IUPAC name is N-cyclopropyl-2,6-bis(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2,6-bis(trifluoromethyl)pyridine-4-carboxamide
PubChem CID30772760
Molecular FormulaC11H8F6N2O
Molecular Weight298.19 g/mol
Exact Mass298.05
IUPAC NameN-cyclopropyl-2,6-bis(trifluoromethyl)pyridine-4-carboxamide
SMILESO=C(NC1CC1)c1cc(C(F)(F)F)nc(C(F)(F)F)c1
InChIInChI=1S/C11H8F6N2O/c12-10(13,14)7-3-5(9(20)18-6-1-2-6)4-8(19-7)11(15,16)17/h3-4,6H,1-2H2,(H,18,20)
InChIKeyHHRWGRZSBKAWCN-UHFFFAOYSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-4-chlorobenzamide;sulfane
CID 167653712
3-acetamido-N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide
CID 163399498
N-cyclopropyl-4-[2-(trifluoromethyl)quinolin-4-yl]benzamide
CID 172890418
N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-3-(2-methylpropanoylamino)benzamide
CID 166008899
N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477474
3-iodo-N-piperidin-4-yl-5-(trifluoromethyl)benzamide;hydrochloride
CID 119388602
N-(1-cyclopropylpiperidin-4-yl)-3,5-bis(trifluoromethyl)benzamide
CID 46548552
3,5-dibromo-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 107980263
N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-1H-indole-4-carboxamide
CID 166008900
4-fluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
CID 91809824
N-cyclopropyl-3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide
CID 71940029
N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 119478233

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,6-bis(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2,6-bis(trifluoromethyl)pyridine-4-carboxamide (CID 30772760) is N-cyclopropyl-2,6-bis(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2,6-bis(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2,6-bis(trifluoromethyl)pyridine-4-carboxamide is O=C(NC1CC1)c1cc(C(F)(F)F)nc(C(F)(F)F)c1.
What is the InChIKey of N-cyclopropyl-2,6-bis(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is HHRWGRZSBKAWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6N2O/c12-10(13,14)7-3-5(9(20)18-6-1-2-6)4-8(19-7)11(15,16)17/h3-4,6H,1-2H2,(H,18,20).
What are the key properties of N-cyclopropyl-2,6-bis(trifluoromethyl)pyridine-4-carboxamide?
N-cyclopropyl-2,6-bis(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 298.19 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,6-bis(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 30772760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).