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

C24H30FN3O3 — CID 45233329

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide
SMILESO=C(c1ccc(=O)[nH]c1)N(CC1CCN(Cc2ccccc2F)CC1)CC1CCCO1
InChIInChI=1S/C24H30FN3O3/c25-22-6-2-1-4-20(22)16-27-11-9-18(10-12-27)15-28(17-21-5-3-13-31-21)24(30)19-7-8-23(29)26-14-19/h1-2,4,6-8,14,18,21H,3,5,9-13,15-17H2,(H,26,29)
InChIKeyCVMDUKXSRCAUHZ-UHFFFAOYSA-N
MW427.52 g/mol
LogP3.05
Rot. Bonds7

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

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 45233329) has the molecular formula C24H30FN3O3 and a molecular weight of 427.52 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID45233329
Molecular FormulaC24H30FN3O3
Molecular Weight427.52 g/mol
Exact Mass427.23
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide
SMILESO=C(c1ccc(=O)[nH]c1)N(CC1CCN(Cc2ccccc2F)CC1)CC1CCCO1
InChIInChI=1S/C24H30FN3O3/c25-22-6-2-1-4-20(22)16-27-11-9-18(10-12-27)15-28(17-21-5-3-13-31-21)24(30)19-7-8-23(29)26-14-19/h1-2,4,6-8,14,18,21H,3,5,9-13,15-17H2,(H,26,29)
InChIKeyCVMDUKXSRCAUHZ-UHFFFAOYSA-N
XLogP3.05
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide (CID 45233329) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide is O=C(c1ccc(=O)[nH]c1)N(CC1CCN(Cc2ccccc2F)CC1)CC1CCCO1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is CVMDUKXSRCAUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3/c25-22-6-2-1-4-20(22)16-27-11-9-18(10-12-27)15-28(17-21-5-3-13-31-21)24(30)19-7-8-23(29)26-14-19/h1-2,4,6-8,14,18,21H,3,5,9-13,15-17H2,(H,26,29).
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide has a molecular weight of 427.52 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 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-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 45233329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).