6-(3-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C17H25N3O2 — CID 644480

IUPAC6-(3-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCC1CCCN(c2ccc(C(=O)NCC3CCCO3)cn2)C1
InChIInChI=1S/C17H25N3O2/c1-13-4-2-8-20(12-13)16-7-6-14(10-18-16)17(21)19-11-15-5-3-9-22-15/h6-7,10,13,15H,2-5,8-9,11-12H2,1H3,(H,19,21)
InChIKeyROVABHUWASKKJG-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.23
Rot. Bonds4

About 6-(3-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

6-(3-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 644480) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 6-(3-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID644480
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name6-(3-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCC1CCCN(c2ccc(C(=O)NCC3CCCO3)cn2)C1
InChIInChI=1S/C17H25N3O2/c1-13-4-2-8-20(12-13)16-7-6-14(10-18-16)17(21)19-11-15-5-3-9-22-15/h6-7,10,13,15H,2-5,8-9,11-12H2,1H3,(H,19,21)
InChIKeyROVABHUWASKKJG-UHFFFAOYSA-N
XLogP2.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
2-Imino-5-oxo-1-(3-pyridinylmethyl)-N-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide
CID 646508
2-Imino-10-methyl-5-oxo-1-(3-pyridinylmethyl)-N-(tetrahydro-2-furanylmet hyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 652081
(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide
CID 25222059
N-methyl-N-[(3S)-1-[6-(2-methylbutan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 146637370
(2S)-N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methyloxolane-2-carboxamide
CID 146637371
3-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
CID 146637372
N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040782
2-Imino-8-methyl-10-oxo-1-(tetrahydro-furan-2-ylmethyl)-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (pyridin-3-ylmethyl)-amide
CID 3151315
2-(Piperazin-1-yl)pyridine-3-carboxamide
CID 16785637
6-Morpholinonicotinamide
CID 260349

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 644480) is 6-(3-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is CC1CCCN(c2ccc(C(=O)NCC3CCCO3)cn2)C1.
What is the InChIKey of 6-(3-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is ROVABHUWASKKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13-4-2-8-20(12-13)16-7-6-14(10-18-16)17(21)19-11-15-5-3-9-22-15/h6-7,10,13,15H,2-5,8-9,11-12H2,1H3,(H,19,21).
What are the key properties of 6-(3-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
6-(3-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 644480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).