6-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

C17H27N3O3 — CID 72911438

IUPAC6-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCOCC[C@]1(O)CCN(c2ccc(C(=O)N(C)C)cn2)C[C@H]1C
InChIInChI=1S/C17H27N3O3/c1-13-12-20(9-7-17(13,22)8-10-23-4)15-6-5-14(11-18-15)16(21)19(2)3/h5-6,11,13,22H,7-10,12H2,1-4H3/t13-,17-/m1/s1
InChIKeyPXGGHEAZAYNNSS-CXAGYDPISA-N
MW321.42 g/mol
LogP1.40
Rot. Bonds5

About 6-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

6-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 72911438) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 6-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID72911438
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name6-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCOCC[C@]1(O)CCN(c2ccc(C(=O)N(C)C)cn2)C[C@H]1C
InChIInChI=1S/C17H27N3O3/c1-13-12-20(9-7-17(13,22)8-10-23-4)15-6-5-14(11-18-15)16(21)19(2)3/h5-6,11,13,22H,7-10,12H2,1-4H3/t13-,17-/m1/s1
InChIKeyPXGGHEAZAYNNSS-CXAGYDPISA-N
XLogP1.40
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 115658002
6-[4-(2-aminoethoxy)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 82688178
6-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide
CID 128977424
6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 114802345
(3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
CID 72871909
6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 112627949
6-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103794664
6-(2-methoxyethyl)-N,N-dimethylpyridine-3-carboxamide
CID 135234151
6-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide
CID 95532245
N,N-dimethyl-6-[3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
CID 133331661
6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129371025
6-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 115963854

Frequently Asked Questions

What is the IUPAC name of 6-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (CID 72911438) is 6-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is COCC[C@]1(O)CCN(c2ccc(C(=O)N(C)C)cn2)C[C@H]1C.
What is the InChIKey of 6-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is PXGGHEAZAYNNSS-CXAGYDPISA-N. The full InChI is InChI=1S/C17H27N3O3/c1-13-12-20(9-7-17(13,22)8-10-23-4)15-6-5-14(11-18-15)16(21)19(2)3/h5-6,11,13,22H,7-10,12H2,1-4H3/t13-,17-/m1/s1.
What are the key properties of 6-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
6-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 72911438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).