N-cyclopropyl-6-[4-(2-fluoro-5-methylphenoxy)piperidin-1-yl]pyridine-3-carboxamide

C21H24FN3O2 — CID 44526660

IUPACN-cyclopropyl-6-[4-(2-fluoro-5-methylphenoxy)piperidin-1-yl]pyridine-3-carboxamide
SMILESCc1ccc(F)c(OC2CCN(c3ccc(C(=O)NC4CC4)cn3)CC2)c1
InChIInChI=1S/C21H24FN3O2/c1-14-2-6-18(22)19(12-14)27-17-8-10-25(11-9-17)20-7-3-15(13-23-20)21(26)24-16-4-5-16/h2-3,6-7,12-13,16-17H,4-5,8-11H2,1H3,(H,24,26)
InChIKeyCNJLMTSROSUJFQ-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.47
Rot. Bonds5

About N-cyclopropyl-6-[4-(2-fluoro-5-methylphenoxy)piperidin-1-yl]pyridine-3-carboxamide

N-cyclopropyl-6-[4-(2-fluoro-5-methylphenoxy)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 44526660) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-cyclopropyl-6-[4-(2-fluoro-5-methylphenoxy)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[4-(2-fluoro-5-methylphenoxy)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID44526660
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC NameN-cyclopropyl-6-[4-(2-fluoro-5-methylphenoxy)piperidin-1-yl]pyridine-3-carboxamide
SMILESCc1ccc(F)c(OC2CCN(c3ccc(C(=O)NC4CC4)cn3)CC2)c1
InChIInChI=1S/C21H24FN3O2/c1-14-2-6-18(22)19(12-14)27-17-8-10-25(11-9-17)20-7-3-15(13-23-20)21(26)24-16-4-5-16/h2-3,6-7,12-13,16-17H,4-5,8-11H2,1H3,(H,24,26)
InChIKeyCNJLMTSROSUJFQ-UHFFFAOYSA-N
XLogP3.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[4-(2-fluoro-5-methylphenoxy)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[4-(2-fluoro-5-methylphenoxy)piperidin-1-yl]pyridine-3-carboxamide (CID 44526660) is N-cyclopropyl-6-[4-(2-fluoro-5-methylphenoxy)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[4-(2-fluoro-5-methylphenoxy)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[4-(2-fluoro-5-methylphenoxy)piperidin-1-yl]pyridine-3-carboxamide is Cc1ccc(F)c(OC2CCN(c3ccc(C(=O)NC4CC4)cn3)CC2)c1.
What is the InChIKey of N-cyclopropyl-6-[4-(2-fluoro-5-methylphenoxy)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is CNJLMTSROSUJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-14-2-6-18(22)19(12-14)27-17-8-10-25(11-9-17)20-7-3-15(13-23-20)21(26)24-16-4-5-16/h2-3,6-7,12-13,16-17H,4-5,8-11H2,1H3,(H,24,26).
What are the key properties of N-cyclopropyl-6-[4-(2-fluoro-5-methylphenoxy)piperidin-1-yl]pyridine-3-carboxamide?
N-cyclopropyl-6-[4-(2-fluoro-5-methylphenoxy)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[4-(2-fluoro-5-methylphenoxy)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 44526660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).