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

C17H23N5O — CID 95609283

IUPAC2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide
SMILESCc1cnn(C[C@@H]2CCCCN2CC(=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)/t16-/m0/s1
InChIKeyBNXQPTBKBSVTNF-INIZCTEOSA-N
MW313.40 g/mol
LogP2.08
Rot. Bonds5

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

2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide (PubChem CID 95609283) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide
PubChem CID95609283
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide
SMILESCc1cnn(C[C@@H]2CCCCN2CC(=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)/t16-/m0/s1
InChIKeyBNXQPTBKBSVTNF-INIZCTEOSA-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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Related Compounds

2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 56780375
2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide
CID 95308448
2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide
CID 95609750
N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 98761689
2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95354502
2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)acetamide
CID 92612941
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 129448702
5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95352806
2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129380241
1-[2-(azepan-1-ylmethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 46957693
cis-(1S,3R)-3-methyl-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 97216669
cis-(1R,3S)-3-methyl-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 97216672

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide (CID 95609283) is 2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide is Cc1cnn(C[C@@H]2CCCCN2CC(=O)Nc2cccnc2)c1.
What is the InChIKey of 2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide?
The InChIKey is BNXQPTBKBSVTNF-INIZCTEOSA-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)/t16-/m0/s1.
What are the key properties of 2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide?
2-[(2S)-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-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 95609283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).