N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C25H32FN3O2 — CID 45189592

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(CC2CCN(Cc3ccccc3F)CC2)CC2CCCO2)cn1
InChIInChI=1S/C25H32FN3O2/c1-19-8-9-21(15-27-19)25(30)29(18-23-6-4-14-31-23)16-20-10-12-28(13-11-20)17-22-5-2-3-7-24(22)26/h2-3,5,7-9,15,20,23H,4,6,10-14,16-18H2,1H3
InChIKeySCSVEQJTUDGOFE-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.06
Rot. Bonds7

About N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 45189592) has the molecular formula C25H32FN3O2 and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID45189592
Molecular FormulaC25H32FN3O2
Molecular Weight425.55 g/mol
Exact Mass425.25
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(CC2CCN(Cc3ccccc3F)CC2)CC2CCCO2)cn1
InChIInChI=1S/C25H32FN3O2/c1-19-8-9-21(15-27-19)25(30)29(18-23-6-4-14-31-23)16-20-10-12-28(13-11-20)17-22-5-2-3-7-24(22)26/h2-3,5,7-9,15,20,23H,4,6,10-14,16-18H2,1H3
InChIKeySCSVEQJTUDGOFE-UHFFFAOYSA-N
XLogP4.06
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

VU0361747
CID 53384841
(4-Isopropyl-piperazin-1-yl)-(6-morpholin-4-ylmethylpyridin-3-yl)-methanone
CID 11588013
(4-Methylpiperidin-1-yl)(6-(2-phenylethynyl)pyridin-3-yl)methanone
CID 45271260
N-[3-(4-morpholinylcarbonyl)phenyl]nicotinamide
CID 1249685
N-(2-fluorobenzyl)-3-[1-(6-methylnicotinoyl)-3-piperidyl]propionamide
CID 24794247
[1-[2-(3-Fluorophenyl)ethynyl]-3-methylpyrrolo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone
CID 44452968
[1-[2-(2-Fluorophenyl)ethynyl]-3-methylpyrrolo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone
CID 44452995
N-benzyl-N-(oxolan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 44571389
N-benzyl-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 44571429
N-benzyl-N-(oxolan-2-ylmethyl)-6-phenylpyridine-3-carboxamide
CID 44571489
N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 44571492
N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 44571529

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 45189592) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is Cc1ccc(C(=O)N(CC2CCN(Cc3ccccc3F)CC2)CC2CCCO2)cn1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is SCSVEQJTUDGOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O2/c1-19-8-9-21(15-27-19)25(30)29(18-23-6-4-14-31-23)16-20-10-12-28(13-11-20)17-22-5-2-3-7-24(22)26/h2-3,5,7-9,15,20,23H,4,6,10-14,16-18H2,1H3.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 45189592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).