N-cyclopropyl-6-[3-[(2-fluoro-5-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide

C22H26FN3O2 — CID 44526659

IUPACN-cyclopropyl-6-[3-[(2-fluoro-5-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCc1ccc(F)c(OCC2CCCN(c3ccc(C(=O)NC4CC4)cn3)C2)c1
InChIInChI=1S/C22H26FN3O2/c1-15-4-8-19(23)20(11-15)28-14-16-3-2-10-26(13-16)21-9-5-17(12-24-21)22(27)25-18-6-7-18/h4-5,8-9,11-12,16,18H,2-3,6-7,10,13-14H2,1H3,(H,25,27)
InChIKeyHALJVROHVPLLQY-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.72
Rot. Bonds6

About N-cyclopropyl-6-[3-[(2-fluoro-5-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide

N-cyclopropyl-6-[3-[(2-fluoro-5-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 44526659) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-cyclopropyl-6-[3-[(2-fluoro-5-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[3-[(2-fluoro-5-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID44526659
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-cyclopropyl-6-[3-[(2-fluoro-5-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCc1ccc(F)c(OCC2CCCN(c3ccc(C(=O)NC4CC4)cn3)C2)c1
InChIInChI=1S/C22H26FN3O2/c1-15-4-8-19(23)20(11-15)28-14-16-3-2-10-26(13-16)21-9-5-17(12-24-21)22(27)25-18-6-7-18/h4-5,8-9,11-12,16,18H,2-3,6-7,10,13-14H2,1H3,(H,25,27)
InChIKeyHALJVROHVPLLQY-UHFFFAOYSA-N
XLogP3.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[3-[(2-fluoro-5-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[3-[(2-fluoro-5-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide (CID 44526659) is N-cyclopropyl-6-[3-[(2-fluoro-5-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[3-[(2-fluoro-5-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[3-[(2-fluoro-5-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide is Cc1ccc(F)c(OCC2CCCN(c3ccc(C(=O)NC4CC4)cn3)C2)c1.
What is the InChIKey of N-cyclopropyl-6-[3-[(2-fluoro-5-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is HALJVROHVPLLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-15-4-8-19(23)20(11-15)28-14-16-3-2-10-26(13-16)21-9-5-17(12-24-21)22(27)25-18-6-7-18/h4-5,8-9,11-12,16,18H,2-3,6-7,10,13-14H2,1H3,(H,25,27).
What are the key properties of N-cyclopropyl-6-[3-[(2-fluoro-5-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
N-cyclopropyl-6-[3-[(2-fluoro-5-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[3-[(2-fluoro-5-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 44526659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).