N-[1-oxo-1-(propylamino)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C14H18F3N3O3 — CID 42933993

IUPACN-[1-oxo-1-(propylamino)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C14H18F3N3O3/c1-3-6-18-12(21)9(2)20-13(22)10-4-5-11(19-7-10)23-8-14(15,16)17/h4-5,7,9H,3,6,8H2,1-2H3,(H,18,21)(H,20,22)
InChIKeyFXILIXOLEGKWTH-UHFFFAOYSA-N
MW333.31 g/mol
LogP1.67
Rot. Bonds7

About N-[1-oxo-1-(propylamino)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[1-oxo-1-(propylamino)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 42933993) has the molecular formula C14H18F3N3O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is N-[1-oxo-1-(propylamino)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-(propylamino)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID42933993
Molecular FormulaC14H18F3N3O3
Molecular Weight333.31 g/mol
Exact Mass333.13
IUPAC NameN-[1-oxo-1-(propylamino)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C14H18F3N3O3/c1-3-6-18-12(21)9(2)20-13(22)10-4-5-11(19-7-10)23-8-14(15,16)17/h4-5,7,9H,3,6,8H2,1-2H3,(H,18,21)(H,20,22)
InChIKeyFXILIXOLEGKWTH-UHFFFAOYSA-N
XLogP1.67
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 26029790
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 70972173
N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 24603270
N-[1-oxo-1-(propylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide
CID 62178002
N-[3-(propylcarbamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55705978
methyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate
CID 8733711
N-(1-amino-2-methylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119523407
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
CID 46696945
N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 75303570
N-[(2R)-2-morpholin-4-ylpropyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 94022187
N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51323162
6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 55509070

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(propylamino)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[1-oxo-1-(propylamino)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 42933993) is N-[1-oxo-1-(propylamino)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-oxo-1-(propylamino)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[1-oxo-1-(propylamino)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CCCNC(=O)C(C)NC(=O)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[1-oxo-1-(propylamino)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is FXILIXOLEGKWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O3/c1-3-6-18-12(21)9(2)20-13(22)10-4-5-11(19-7-10)23-8-14(15,16)17/h4-5,7,9H,3,6,8H2,1-2H3,(H,18,21)(H,20,22).
What are the key properties of N-[1-oxo-1-(propylamino)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[1-oxo-1-(propylamino)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 333.31 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(propylamino)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 42933993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).