2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide

C17H23N5O — CID 56780378

IUPAC2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide
SMILESCc1cnn(CC2CCCCN2CC(=O)Nc2cccnc2)c1
InChIInChI=1S/C17H23N5O/c1-14-9-19-22(11-14)12-16-6-2-3-8-21(16)13-17(23)20-15-5-4-7-18-10-15/h4-5,7,9-11,16H,2-3,6,8,12-13H2,1H3,(H,20,23)
InChIKeyBNXQPTBKBSVTNF-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.08
Rot. Bonds5

About 2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide

2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide (PubChem CID 56780378) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide
PubChem CID56780378
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide
SMILESCc1cnn(CC2CCCCN2CC(=O)Nc2cccnc2)c1
InChIInChI=1S/C17H23N5O/c1-14-9-19-22(11-14)12-16-6-2-3-8-21(16)13-17(23)20-15-5-4-7-18-10-15/h4-5,7,9-11,16H,2-3,6,8,12-13H2,1H3,(H,20,23)
InChIKeyBNXQPTBKBSVTNF-UHFFFAOYSA-N
XLogP2.08
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide (CID 56780378) is 2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide is Cc1cnn(CC2CCCCN2CC(=O)Nc2cccnc2)c1.
What is the InChIKey of 2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide?
The InChIKey is BNXQPTBKBSVTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-14-9-19-22(11-14)12-16-6-2-3-8-21(16)13-17(23)20-15-5-4-7-18-10-15/h4-5,7,9-11,16H,2-3,6,8,12-13H2,1H3,(H,20,23).
What are the key properties of 2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide?
2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide has a molecular weight of 313.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 56780378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).