N-[(1S)-1-cyanopropyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C12H12F3N3O2 — CID 97215424

IUPACN-[(1S)-1-cyanopropyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCC[C@@H](C#N)NC(=O)c1cccc(OCC(F)(F)F)n1
InChIInChI=1S/C12H12F3N3O2/c1-2-8(6-16)17-11(19)9-4-3-5-10(18-9)20-7-12(13,14)15/h3-5,8H,2,7H2,1H3,(H,17,19)/t8-/m0/s1
InChIKeyJKYHHORFYPTLKY-QMMMGPOBSA-N
MW287.24 g/mol
LogP2.05
Rot. Bonds5

About N-[(1S)-1-cyanopropyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

N-[(1S)-1-cyanopropyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 97215424) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is N-[(1S)-1-cyanopropyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyanopropyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID97215424
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC NameN-[(1S)-1-cyanopropyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCC[C@@H](C#N)NC(=O)c1cccc(OCC(F)(F)F)n1
InChIInChI=1S/C12H12F3N3O2/c1-2-8(6-16)17-11(19)9-4-3-5-10(18-9)20-7-12(13,14)15/h3-5,8H,2,7H2,1H3,(H,17,19)/t8-/m0/s1
InChIKeyJKYHHORFYPTLKY-QMMMGPOBSA-N
XLogP2.05
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-3-methyl-2-[[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]pentanoic acid
CID 120517434
3-methyl-4-[[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]butanoic acid
CID 120537132
2-methyl-3-[[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoic acid
CID 120525800
2-methyl-2-phenyl-3-[[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoic acid
CID 120700736
N-[(2S)-1-(1H-imidazol-5-yl)-3-phenylpropan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 97081922
2-phenyl-2-[4-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperazin-1-yl]acetonitrile
CID 75421843
2-methyl-2-[methyl-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoic acid
CID 120518819
N-butan-2-yl-6-methoxypyridine-2-carboxamide
CID 110848498
N-[(1S)-1-cyanopropyl]-1H-pyrazole-4-carboxamide
CID 130661028
methyl 4-cyano-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate
CID 138584566
4-[[[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542907
N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 126776692

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyanopropyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[(1S)-1-cyanopropyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 97215424) is N-[(1S)-1-cyanopropyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyanopropyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-cyanopropyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is CC[C@@H](C#N)NC(=O)c1cccc(OCC(F)(F)F)n1.
What is the InChIKey of N-[(1S)-1-cyanopropyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is JKYHHORFYPTLKY-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c1-2-8(6-16)17-11(19)9-4-3-5-10(18-9)20-7-12(13,14)15/h3-5,8H,2,7H2,1H3,(H,17,19)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-cyanopropyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
N-[(1S)-1-cyanopropyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 287.24 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyanopropyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 97215424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).