N-[(4-hydroxyoxan-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C13H15F3N2O3 — CID 115664962

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NCC1(O)CCOCC1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)9-1-2-10(17-7-9)11(19)18-8-12(20)3-5-21-6-4-12/h1-2,7,20H,3-6,8H2,(H,18,19)
InChIKeyJWKVPOVRQVVYGT-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.37
Rot. Bonds3

About N-[(4-hydroxyoxan-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide

N-[(4-hydroxyoxan-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 115664962) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID115664962
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NCC1(O)CCOCC1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)9-1-2-10(17-7-9)11(19)18-8-12(20)3-5-21-6-4-12/h1-2,7,20H,3-6,8H2,(H,18,19)
InChIKeyJWKVPOVRQVVYGT-UHFFFAOYSA-N
XLogP1.37
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 115664962) is N-[(4-hydroxyoxan-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide is O=C(NCC1(O)CCOCC1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is JWKVPOVRQVVYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c14-13(15,16)9-1-2-10(17-7-9)11(19)18-8-12(20)3-5-21-6-4-12/h1-2,7,20H,3-6,8H2,(H,18,19).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[(4-hydroxyoxan-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 115664962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).