6-[3-(hydroxymethyl)azetidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C23H21F3N4O3 — CID 118195354

IUPAC6-[3-(hydroxymethyl)azetidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC(CO)C2)cn1
InChIInChI=1S/C23H21F3N4O3/c1-14-2-3-16(9-27-14)20-8-17(10-28-21(20)30-11-15(12-30)13-31)22(32)29-18-4-6-19(7-5-18)33-23(24,25)26/h2-10,15,31H,11-13H2,1H3,(H,29,32)
InChIKeyZNWUIWJJYLQBEA-UHFFFAOYSA-N
MW458.44 g/mol
LogP4.03
Rot. Bonds6

About 6-[3-(hydroxymethyl)azetidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

6-[3-(hydroxymethyl)azetidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 118195354) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)azetidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)azetidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID118195354
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC Name6-[3-(hydroxymethyl)azetidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC(CO)C2)cn1
InChIInChI=1S/C23H21F3N4O3/c1-14-2-3-16(9-27-14)20-8-17(10-28-21(20)30-11-15(12-30)13-31)22(32)29-18-4-6-19(7-5-18)33-23(24,25)26/h2-10,15,31H,11-13H2,1H3,(H,29,32)
InChIKeyZNWUIWJJYLQBEA-UHFFFAOYSA-N
XLogP4.03
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)azetidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-[3-(hydroxymethyl)azetidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 118195354) is 6-[3-(hydroxymethyl)azetidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(hydroxymethyl)azetidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[3-(hydroxymethyl)azetidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC(CO)C2)cn1.
What is the InChIKey of 6-[3-(hydroxymethyl)azetidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is ZNWUIWJJYLQBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c1-14-2-3-16(9-27-14)20-8-17(10-28-21(20)30-11-15(12-30)13-31)22(32)29-18-4-6-19(7-5-18)33-23(24,25)26/h2-10,15,31H,11-13H2,1H3,(H,29,32).
What are the key properties of 6-[3-(hydroxymethyl)azetidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-[3-(hydroxymethyl)azetidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 458.44 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)azetidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118195354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).