N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-methylpyridine-2-carboxamide

C17H22N4O2S — CID 118786159

IUPACN-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N[C@@H]2CCN(Cc3csc(C)n3)C[C@H]2O)n1
InChIInChI=1S/C17H22N4O2S/c1-11-4-3-5-15(18-11)17(23)20-14-6-7-21(9-16(14)22)8-13-10-24-12(2)19-13/h3-5,10,14,16,22H,6-9H2,1-2H3,(H,20,23)/t14-,16-/m1/s1
InChIKeyFHVVSDZJSAYWNF-GDBMZVCRSA-N
MW346.46 g/mol
LogP1.52
Rot. Bonds4

About N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-methylpyridine-2-carboxamide

N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-methylpyridine-2-carboxamide (PubChem CID 118786159) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-methylpyridine-2-carboxamide
PubChem CID118786159
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N[C@@H]2CCN(Cc3csc(C)n3)C[C@H]2O)n1
InChIInChI=1S/C17H22N4O2S/c1-11-4-3-5-15(18-11)17(23)20-14-6-7-21(9-16(14)22)8-13-10-24-12(2)19-13/h3-5,10,14,16,22H,6-9H2,1-2H3,(H,20,23)/t14-,16-/m1/s1
InChIKeyFHVVSDZJSAYWNF-GDBMZVCRSA-N
XLogP1.52
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-methylpyrimidine-4-carboxamide
CID 164639029
N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 118790063
N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 118762726
N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-pyrazol-1-ylbutanamide
CID 118792062
N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 121498184
4-chloro-N-[(3R,4S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 146041162
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
N-[(3R,4R)-3-hydroxy-1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 70757296
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879
3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 114511212
N-[(3R,4R)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 110133078
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-methylpyridine-2-carboxamide (CID 118786159) is N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)N[C@@H]2CCN(Cc3csc(C)n3)C[C@H]2O)n1.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is FHVVSDZJSAYWNF-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-11-4-3-5-15(18-11)17(23)20-14-6-7-21(9-16(14)22)8-13-10-24-12(2)19-13/h3-5,10,14,16,22H,6-9H2,1-2H3,(H,20,23)/t14-,16-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-methylpyridine-2-carboxamide?
N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 118786159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).