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

C21H24FN3O2 — CID 44526658

IUPACN-cyclopropyl-6-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESO=C(NC1CC1)c1ccc(N2CCCC(COc3ccccc3F)C2)nc1
InChIInChI=1S/C21H24FN3O2/c22-18-5-1-2-6-19(18)27-14-15-4-3-11-25(13-15)20-10-7-16(12-23-20)21(26)24-17-8-9-17/h1-2,5-7,10,12,15,17H,3-4,8-9,11,13-14H2,(H,24,26)
InChIKeyXJGQMMFQWUJUKY-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.41
Rot. Bonds6

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

N-cyclopropyl-6-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 44526658) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-cyclopropyl-6-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID44526658
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC NameN-cyclopropyl-6-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESO=C(NC1CC1)c1ccc(N2CCCC(COc3ccccc3F)C2)nc1
InChIInChI=1S/C21H24FN3O2/c22-18-5-1-2-6-19(18)27-14-15-4-3-11-25(13-15)20-10-7-16(12-23-20)21(26)24-17-8-9-17/h1-2,5-7,10,12,15,17H,3-4,8-9,11,13-14H2,(H,24,26)
InChIKeyXJGQMMFQWUJUKY-UHFFFAOYSA-N
XLogP3.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 470679
5-Chloro-2-ethyl-13-(4-fluorophenoxymethyl)-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide (CID 44526658) is N-cyclopropyl-6-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide is O=C(NC1CC1)c1ccc(N2CCCC(COc3ccccc3F)C2)nc1.
What is the InChIKey of N-cyclopropyl-6-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is XJGQMMFQWUJUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c22-18-5-1-2-6-19(18)27-14-15-4-3-11-25(13-15)20-10-7-16(12-23-20)21(26)24-17-8-9-17/h1-2,5-7,10,12,15,17H,3-4,8-9,11,13-14H2,(H,24,26).
What are the key properties of N-cyclopropyl-6-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
N-cyclopropyl-6-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 3.41, 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-fluorophenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 44526658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).