6-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-N,N-dimethylpyridine-2-carboxamide

C14H21N3O3 — CID 72838894

IUPAC6-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(N2CC[C@](C)(O)[C@@H](O)C2)n1
InChIInChI=1S/C14H21N3O3/c1-14(20)7-8-17(9-11(14)18)12-6-4-5-10(15-12)13(19)16(2)3/h4-6,11,18,20H,7-9H2,1-3H3/t11-,14-/m0/s1
InChIKeyLRPFXTRSCJURAP-FZMZJTMJSA-N
MW279.34 g/mol
LogP0.11
Rot. Bonds2

About 6-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-N,N-dimethylpyridine-2-carboxamide

6-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 72838894) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
PubChem CID72838894
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name6-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(N2CC[C@](C)(O)[C@@H](O)C2)n1
InChIInChI=1S/C14H21N3O3/c1-14(20)7-8-17(9-11(14)18)12-6-4-5-10(15-12)13(19)16(2)3/h4-6,11,18,20H,7-9H2,1-3H3/t11-,14-/m0/s1
InChIKeyLRPFXTRSCJURAP-FZMZJTMJSA-N
XLogP0.11
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 6-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-N,N-dimethylpyridine-2-carboxamide (CID 72838894) is 6-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 6-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 6-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cccc(N2CC[C@](C)(O)[C@@H](O)C2)n1.
What is the InChIKey of 6-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is LRPFXTRSCJURAP-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(20)7-8-17(9-11(14)18)12-6-4-5-10(15-12)13(19)16(2)3/h4-6,11,18,20H,7-9H2,1-3H3/t11-,14-/m0/s1.
What are the key properties of 6-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-N,N-dimethylpyridine-2-carboxamide?
6-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 72838894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).