2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

C17H23N5O — CID 97004509

IUPAC2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1cc([C@@H]2CCCN(CC(=O)NCc3cccnc3)C2)n[nH]1
InChIInChI=1S/C17H23N5O/c1-13-8-16(21-20-13)15-5-3-7-22(11-15)12-17(23)19-10-14-4-2-6-18-9-14/h2,4,6,8-9,15H,3,5,7,10-12H2,1H3,(H,19,23)(H,20,21)/t15-/m1/s1
InChIKeyJGTAGFWRGZNLDY-OAHLLOKOSA-N
MW313.40 g/mol
LogP1.61
Rot. Bonds5

About 2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 97004509) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID97004509
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1cc([C@@H]2CCCN(CC(=O)NCc3cccnc3)C2)n[nH]1
InChIInChI=1S/C17H23N5O/c1-13-8-16(21-20-13)15-5-3-7-22(11-15)12-17(23)19-10-14-4-2-6-18-9-14/h2,4,6,8-9,15H,3,5,7,10-12H2,1H3,(H,19,23)(H,20,21)/t15-/m1/s1
InChIKeyJGTAGFWRGZNLDY-OAHLLOKOSA-N
XLogP1.61
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Benzyl-1-piperazinyl)-N'-(1-(4-pyridinyl)ethylidene)acetohydrazide
CID 9617944
2-(4-Isopropylphenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 11717091
(3-(pyridin-3-yl)-1H-pyrazol-5-yl)methanamine
CID 11993870
US10022354, Example 71
CID 121279677
1-Benzyl-4-[3-(Pyridin-4-Yl)-2,4,6,7-Tetrahydro-5h-Pyrazolo[4,3-C]pyridin-5-Yl]pyridin-2(1h)-One
CID 91819624
4-[3-(Pyridin-4-Yl)-2,4,6,7-Tetrahydro-5h-Pyrazolo[4,3-C]pyridin-5-Yl]pyridin-2(1h)-One
CID 91819626
3-(5-Methyl-1H-pyrazol-3-yl)pyridine
CID 12707229
1-[(3-Fluorophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
CID 122186074
1-[(3-Methylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
CID 122186078
N-(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)phenyl)-2-(pyrrolidin-1-yl)acetamide
CID 10273926
2-[5-(1-Phenethyl-piperidin-4-yl)-2H-pyrazol-3-yl]-pyridine
CID 10688035
2-[6-Chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-N-[2-(1H-pyrazol-3-yl)-benzyl]-acetamide
CID 11225789

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 97004509) is 2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is Cc1cc([C@@H]2CCCN(CC(=O)NCc3cccnc3)C2)n[nH]1.
What is the InChIKey of 2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is JGTAGFWRGZNLDY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-8-16(21-20-13)15-5-3-7-22(11-15)12-17(23)19-10-14-4-2-6-18-9-14/h2,4,6,8-9,15H,3,5,7,10-12H2,1H3,(H,19,23)(H,20,21)/t15-/m1/s1.
What are the key properties of 2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 97004509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).