N-[1-(dimethylamino)propan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide

C14H16F3N5O2 — CID 71577116

IUPACN-[1-(dimethylamino)propan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
SMILESCC(CN(C)C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)nc1
InChIInChI=1S/C14H16F3N5O2/c1-8(7-22(2)3)19-12(23)9-4-5-10(18-6-9)11-20-13(24-21-11)14(15,16)17/h4-6,8H,7H2,1-3H3,(H,19,23)
InChIKeyFHSCMTRAIIBOGP-UHFFFAOYSA-N
MW343.31 g/mol
LogP1.83
Rot. Bonds5

About N-[1-(dimethylamino)propan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide

N-[1-(dimethylamino)propan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (PubChem CID 71577116) has the molecular formula C14H16F3N5O2 and a molecular weight of 343.31 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
PubChem CID71577116
Molecular FormulaC14H16F3N5O2
Molecular Weight343.31 g/mol
Exact Mass343.13
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
SMILESCC(CN(C)C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)nc1
InChIInChI=1S/C14H16F3N5O2/c1-8(7-22(2)3)19-12(23)9-4-5-10(18-6-9)11-20-13(24-21-11)14(15,16)17/h4-6,8H,7H2,1-3H3,(H,19,23)
InChIKeyFHSCMTRAIIBOGP-UHFFFAOYSA-N
XLogP1.83
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (CID 71577116) is N-[1-(dimethylamino)propan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is CC(CN(C)C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)nc1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The InChIKey is FHSCMTRAIIBOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O2/c1-8(7-22(2)3)19-12(23)9-4-5-10(18-6-9)11-20-13(24-21-11)14(15,16)17/h4-6,8H,7H2,1-3H3,(H,19,23).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
N-[1-(dimethylamino)propan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide has a molecular weight of 343.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 71577116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).