N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide

C19H27N3O3 — CID 97211768

IUPACN-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESO=C(NCc1ccc(N2CCCC[C@H]2CCO)nc1)C1=COCCC1
InChIInChI=1S/C19H27N3O3/c23-10-8-17-5-1-2-9-22(17)18-7-6-15(12-20-18)13-21-19(24)16-4-3-11-25-14-16/h6-7,12,14,17,23H,1-5,8-11,13H2,(H,21,24)/t17-/m0/s1
InChIKeyVITUBKNYEIVUOX-KRWDZBQOSA-N
MW345.44 g/mol
LogP2.13
Rot. Bonds6

About N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide

N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 97211768) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID97211768
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESO=C(NCc1ccc(N2CCCC[C@H]2CCO)nc1)C1=COCCC1
InChIInChI=1S/C19H27N3O3/c23-10-8-17-5-1-2-9-22(17)18-7-6-15(12-20-18)13-21-19(24)16-4-3-11-25-14-16/h6-7,12,14,17,23H,1-5,8-11,13H2,(H,21,24)/t17-/m0/s1
InChIKeyVITUBKNYEIVUOX-KRWDZBQOSA-N
XLogP2.13
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide with MolForge

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Related Compounds

N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]but-2-ynamide
CID 146075582
N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-3,3-dimethylbutanamide
CID 51085213
3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 47049399
1-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-3-(4-nitrophenyl)urea
CID 51961769
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]benzamide
CID 51961894
2-[1-[5-[[(3-nitro-2-pyridinyl)amino]methyl]-2-pyridinyl]piperidin-2-yl]ethanol
CID 47049237
[4-[[6-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methylamino]-3-nitrophenyl]-phenylmethanone
CID 51961110
2-[1-[5-(ethylamino)-2-pyridinyl]piperidin-2-yl]ethanol
CID 82104328
N-[(4-chlorophenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109156994
[1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperidin-2-yl]methanol
CID 80629858
N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboximidamide
CID 24696730
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 38528657

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide (CID 97211768) is N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide is O=C(NCc1ccc(N2CCCC[C@H]2CCO)nc1)C1=COCCC1.
What is the InChIKey of N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is VITUBKNYEIVUOX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-10-8-17-5-1-2-9-22(17)18-7-6-15(12-20-18)13-21-19(24)16-4-3-11-25-14-16/h6-7,12,14,17,23H,1-5,8-11,13H2,(H,21,24)/t17-/m0/s1.
What are the key properties of N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide?
N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 97211768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).