N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C15H18F3N3O2 — CID 119112164

IUPACN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C1CC2CCCCC2N1
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)9-6-12(13(22)19-7-9)21-14(23)11-5-8-3-1-2-4-10(8)20-11/h6-8,10-11,20H,1-5H2,(H,19,22)(H,21,23)
InChIKeySIZMQXZCVWIMFG-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.25
Rot. Bonds2

About N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 119112164) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID119112164
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC NameN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C1CC2CCCCC2N1
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)9-6-12(13(22)19-7-9)21-14(23)11-5-8-3-1-2-4-10(8)20-11/h6-8,10-11,20H,1-5H2,(H,19,22)(H,21,23)
InChIKeySIZMQXZCVWIMFG-UHFFFAOYSA-N
XLogP2.25
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 119112164) is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C1CC2CCCCC2N1.
What is the InChIKey of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is SIZMQXZCVWIMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c16-15(17,18)9-6-12(13(22)19-7-9)21-14(23)11-5-8-3-1-2-4-10(8)20-11/h6-8,10-11,20H,1-5H2,(H,19,22)(H,21,23).
What are the key properties of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 329.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 119112164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).