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

C22H25ClFN3O2 — CID 44526656

IUPAC5-chloro-N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCc1cc(OCC2CCN(c3ncc(C(=O)NC4CC4)cc3Cl)CC2)ccc1F
InChIInChI=1S/C22H25ClFN3O2/c1-14-10-18(4-5-20(14)24)29-13-15-6-8-27(9-7-15)21-19(23)11-16(12-25-21)22(28)26-17-2-3-17/h4-5,10-12,15,17H,2-3,6-9,13H2,1H3,(H,26,28)
InChIKeyYLYWWVWYJSKNSP-UHFFFAOYSA-N
MW417.91 g/mol
LogP4.37
Rot. Bonds6

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

5-chloro-N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 44526656) has the molecular formula C22H25ClFN3O2 and a molecular weight of 417.91 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID44526656
Molecular FormulaC22H25ClFN3O2
Molecular Weight417.91 g/mol
Exact Mass417.16
IUPAC Name5-chloro-N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCc1cc(OCC2CCN(c3ncc(C(=O)NC4CC4)cc3Cl)CC2)ccc1F
InChIInChI=1S/C22H25ClFN3O2/c1-14-10-18(4-5-20(14)24)29-13-15-6-8-27(9-7-15)21-19(23)11-16(12-25-21)22(28)26-17-2-3-17/h4-5,10-12,15,17H,2-3,6-9,13H2,1H3,(H,26,28)
InChIKeyYLYWWVWYJSKNSP-UHFFFAOYSA-N
XLogP4.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.91
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

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N-(1-(4-chloro-3-ethoxybenzyl)piperidin-4-yl)-5-methylnicotinamide
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6-(5-chloro-2-methoxyanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide (CID 44526656) is 5-chloro-N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide is Cc1cc(OCC2CCN(c3ncc(C(=O)NC4CC4)cc3Cl)CC2)ccc1F.
What is the InChIKey of 5-chloro-N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is YLYWWVWYJSKNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3O2/c1-14-10-18(4-5-20(14)24)29-13-15-6-8-27(9-7-15)21-19(23)11-16(12-25-21)22(28)26-17-2-3-17/h4-5,10-12,15,17H,2-3,6-9,13H2,1H3,(H,26,28).
What are the key properties of 5-chloro-N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
5-chloro-N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 417.91 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 44526656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).