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

C16H20N4O2S — CID 118762726

IUPACN-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyridine-4-carboxamide
SMILESCc1nc(CN2CC[C@@H](NC(=O)c3ccncc3)[C@H](O)C2)cs1
InChIInChI=1S/C16H20N4O2S/c1-11-18-13(10-23-11)8-20-7-4-14(15(21)9-20)19-16(22)12-2-5-17-6-3-12/h2-3,5-6,10,14-15,21H,4,7-9H2,1H3,(H,19,22)/t14-,15-/m1/s1
InChIKeyVHAVIELOVOXYSH-HUUCEWRRSA-N
MW332.43 g/mol
LogP1.21
Rot. Bonds4

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

N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyridine-4-carboxamide (PubChem CID 118762726) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyridine-4-carboxamide
PubChem CID118762726
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyridine-4-carboxamide
SMILESCc1nc(CN2CC[C@@H](NC(=O)c3ccncc3)[C@H](O)C2)cs1
InChIInChI=1S/C16H20N4O2S/c1-11-18-13(10-23-11)8-20-7-4-14(15(21)9-20)19-16(22)12-2-5-17-6-3-12/h2-3,5-6,10,14-15,21H,4,7-9H2,1H3,(H,19,22)/t14-,15-/m1/s1
InChIKeyVHAVIELOVOXYSH-HUUCEWRRSA-N
XLogP1.21
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-methylpyridine-2-carboxamide
CID 118786159
N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 118790063
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]-4-pyrazol-1-ylbutanamide
CID 118792062
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 17458113
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
N-[(3S,4S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-4-carboxamide
CID 164633017
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
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]-N'-[4-(tetrazol-1-yl)benzoyl]piperidine-4-carbohydrazide
CID 56553767

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]pyridine-4-carboxamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyridine-4-carboxamide (CID 118762726) is N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyridine-4-carboxamide is Cc1nc(CN2CC[C@@H](NC(=O)c3ccncc3)[C@H](O)C2)cs1.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyridine-4-carboxamide?
The InChIKey is VHAVIELOVOXYSH-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11-18-13(10-23-11)8-20-7-4-14(15(21)9-20)19-16(22)12-2-5-17-6-3-12/h2-3,5-6,10,14-15,21H,4,7-9H2,1H3,(H,19,22)/t14-,15-/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]pyridine-4-carboxamide?
N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyridine-4-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.21, 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]pyridine-4-carboxamide is sourced from PubChem (CID 118762726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).