N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide

C16H20N4O2S — CID 110124022

IUPACN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CC1(O)CCCN(c2ccccn2)C1)C(=O)c1cscn1
InChIInChI=1S/C16H20N4O2S/c1-19(15(21)13-9-23-12-18-13)10-16(22)6-4-8-20(11-16)14-5-2-3-7-17-14/h2-3,5,7,9,12,22H,4,6,8,10-11H2,1H3
InChIKeyDPIULWJELJRHNK-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.64
Rot. Bonds4

About N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide

N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 110124022) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID110124022
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CC1(O)CCCN(c2ccccn2)C1)C(=O)c1cscn1
InChIInChI=1S/C16H20N4O2S/c1-19(15(21)13-9-23-12-18-13)10-16(22)6-4-8-20(11-16)14-5-2-3-7-17-14/h2-3,5,7,9,12,22H,4,6,8,10-11H2,1H3
InChIKeyDPIULWJELJRHNK-UHFFFAOYSA-N
XLogP1.64
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide
CID 124996231
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide
CID 124979178
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 125025521
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
CID 125015256
2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide
CID 110124246
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 124958674
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 110124042
3-ethyl-N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 124959595
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide
CID 124965660
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-5-propyl-1,2-oxazole-3-carboxamide
CID 124985167
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide
CID 110124103
N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylcyclopropanecarboxamide
CID 110124176

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 110124022) is N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide is CN(CC1(O)CCCN(c2ccccn2)C1)C(=O)c1cscn1.
What is the InChIKey of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is DPIULWJELJRHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-19(15(21)13-9-23-12-18-13)10-16(22)6-4-8-20(11-16)14-5-2-3-7-17-14/h2-3,5,7,9,12,22H,4,6,8,10-11H2,1H3.
What are the key properties of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110124022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).