2-(4-methylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide

C18H25N3O3 — CID 109081800

IUPAC2-(4-methylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
SMILESCC1CCN(C(=O)c2cc(C(=O)NCC3CCCO3)ccn2)CC1
InChIInChI=1S/C18H25N3O3/c1-13-5-8-21(9-6-13)18(23)16-11-14(4-7-19-16)17(22)20-12-15-3-2-10-24-15/h4,7,11,13,15H,2-3,5-6,8-10,12H2,1H3,(H,20,22)
InChIKeyOOZKCFNHYWHRLI-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.86
Rot. Bonds4

About 2-(4-methylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide

2-(4-methylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 109081800) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(4-methylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
PubChem CID109081800
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-(4-methylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
SMILESCC1CCN(C(=O)c2cc(C(=O)NCC3CCCO3)ccn2)CC1
InChIInChI=1S/C18H25N3O3/c1-13-5-8-21(9-6-13)18(23)16-11-14(4-7-19-16)17(22)20-12-15-3-2-10-24-15/h4,7,11,13,15H,2-3,5-6,8-10,12H2,1H3,(H,20,22)
InChIKeyOOZKCFNHYWHRLI-UHFFFAOYSA-N
XLogP1.86
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109080690
N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081809
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083250
4-N-[(2-methylphenyl)methyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083260
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
4-N,4-N-diethyl-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083295
4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083312
2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055947
N-(2,6-dichlorophenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081931
4-N-(furan-2-ylmethyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083258
4-N-(2,6-diethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083329
2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109083276

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(4-methylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide (CID 109081800) is 2-(4-methylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-methylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(4-methylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide is CC1CCN(C(=O)c2cc(C(=O)NCC3CCCO3)ccn2)CC1.
What is the InChIKey of 2-(4-methylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is OOZKCFNHYWHRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13-5-8-21(9-6-13)18(23)16-11-14(4-7-19-16)17(22)20-12-15-3-2-10-24-15/h4,7,11,13,15H,2-3,5-6,8-10,12H2,1H3,(H,20,22).
What are the key properties of 2-(4-methylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
2-(4-methylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109081800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).