6-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]-N-methyl-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide

C21H32N4O2 — CID 167922816

IUPAC6-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]-N-methyl-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide
SMILESCN(CC1CCNCC1)C(=O)c1ccc(N2CC(CO)CC23CCC3)nc1
InChIInChI=1S/C21H32N4O2/c1-24(13-16-5-9-22-10-6-16)20(27)18-3-4-19(23-12-18)25-14-17(15-26)11-21(25)7-2-8-21/h3-4,12,16-17,22,26H,2,5-11,13-15H2,1H3
InChIKeyNYFSOTSPTUKAGD-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.89
Rot. Bonds5

About 6-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]-N-methyl-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide

6-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]-N-methyl-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 167922816) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 6-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]-N-methyl-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]-N-methyl-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID167922816
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name6-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]-N-methyl-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide
SMILESCN(CC1CCNCC1)C(=O)c1ccc(N2CC(CO)CC23CCC3)nc1
InChIInChI=1S/C21H32N4O2/c1-24(13-16-5-9-22-10-6-16)20(27)18-3-4-19(23-12-18)25-14-17(15-26)11-21(25)7-2-8-21/h3-4,12,16-17,22,26H,2,5-11,13-15H2,1H3
InChIKeyNYFSOTSPTUKAGD-UHFFFAOYSA-N
XLogP1.89
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]-N-methyl-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

3-methoxy-N,4-dimethyl-N-(piperidin-4-ylmethyl)benzamide
CID 79721035
N-(cyclohexylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 39975112
N-(cyclopropylmethyl)-N-methyl-6-(methylamino)pyridine-3-carboxamide
CID 62179892
N-(cyclopropylmethyl)-6-(ethylamino)-N-methylpyridine-3-carboxamide
CID 62180065
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 71642366
3-chloro-4-iodo-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 103209645
7-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 167753096
N-methyl-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide
CID 79721118
N-methyl-2-(2-oxo-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide
CID 167780078
N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 106607470
4-ethoxy-N-methyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115272269
5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 63274999

Frequently Asked Questions

What is the IUPAC name of 6-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]-N-methyl-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]-N-methyl-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide (CID 167922816) is 6-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]-N-methyl-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]-N-methyl-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]-N-methyl-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide is CN(CC1CCNCC1)C(=O)c1ccc(N2CC(CO)CC23CCC3)nc1.
What is the InChIKey of 6-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]-N-methyl-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is NYFSOTSPTUKAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-24(13-16-5-9-22-10-6-16)20(27)18-3-4-19(23-12-18)25-14-17(15-26)11-21(25)7-2-8-21/h3-4,12,16-17,22,26H,2,5-11,13-15H2,1H3.
What are the key properties of 6-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]-N-methyl-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide?
6-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]-N-methyl-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]-N-methyl-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 167922816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).