N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide

C16H21N5O2 — CID 110124043

IUPACN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCC2(O)CCCN(c3ccccn3)C2)n1
InChIInChI=1S/C16H21N5O2/c1-20-10-6-13(19-20)15(22)18-11-16(23)7-4-9-21(12-16)14-5-2-3-8-17-14/h2-3,5-6,8,10,23H,4,7,9,11-12H2,1H3,(H,18,22)
InChIKeyGBPUJXWUGZLMPQ-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.58
Rot. Bonds4

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

N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide (PubChem CID 110124043) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide
PubChem CID110124043
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCC2(O)CCCN(c3ccccn3)C2)n1
InChIInChI=1S/C16H21N5O2/c1-20-10-6-13(19-20)15(22)18-11-16(23)7-4-9-21(12-16)14-5-2-3-8-17-14/h2-3,5-6,8,10,23H,4,7,9,11-12H2,1H3,(H,18,22)
InChIKeyGBPUJXWUGZLMPQ-UHFFFAOYSA-N
XLogP0.58
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 125011518
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-4-methylpyrimidine-5-carboxamide
CID 125017362
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-methylthiophene-2-carboxamide
CID 124997184
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 124978910
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-methylthiophene-2-carboxamide
CID 110124076
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide
CID 110124102
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 124988775
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 110123503
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 125025521
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 155987447
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]propane-1-sulfonamide
CID 124956556
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide
CID 124979178

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide (CID 110124043) is N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NCC2(O)CCCN(c3ccccn3)C2)n1.
What is the InChIKey of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is GBPUJXWUGZLMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-20-10-6-13(19-20)15(22)18-11-16(23)7-4-9-21(12-16)14-5-2-3-8-17-14/h2-3,5-6,8,10,23H,4,7,9,11-12H2,1H3,(H,18,22).
What are the key properties of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide?
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 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]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110124043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).