1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide

C17H23N5O — CID 172900155

IUPAC1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(Cc3cccnc3)C2)nn1C
InChIInChI=1S/C17H23N5O/c1-13-9-16(20-21(13)2)17(23)19-15-6-4-8-22(12-15)11-14-5-3-7-18-10-14/h3,5,7,9-10,15H,4,6,8,11-12H2,1-2H3,(H,19,23)
InChIKeyUYNZCXOQAXISGR-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.52
Rot. Bonds4

About 1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide

1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 172900155) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID172900155
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(Cc3cccnc3)C2)nn1C
InChIInChI=1S/C17H23N5O/c1-13-9-16(20-21(13)2)17(23)19-15-6-4-8-22(12-15)11-14-5-3-7-18-10-14/h3,5,7,9-10,15H,4,6,8,11-12H2,1-2H3,(H,19,23)
InChIKeyUYNZCXOQAXISGR-UHFFFAOYSA-N
XLogP1.52
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-oxo-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-pyrazine-3-carboxamide
CID 124855297
N-[1-[(4-cyanophenyl)methyl]piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172933961
1-(difluoromethyl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 125173875
3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 125440680
N-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172899699
2-chloro-6-fluoro-3-methyl-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide
CID 124758694
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide
CID 125173839
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide
CID 118794907
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide
CID 125173828
3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide
CID 91778553
2-(5-amino-3-methylpyrazol-1-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124753575
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 125441300

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide (CID 172900155) is 1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCCN(Cc3cccnc3)C2)nn1C.
What is the InChIKey of 1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is UYNZCXOQAXISGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-9-16(20-21(13)2)17(23)19-15-6-4-8-22(12-15)11-14-5-3-7-18-10-14/h3,5,7,9-10,15H,4,6,8,11-12H2,1-2H3,(H,19,23).
What are the key properties of 1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide?
1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 313.41 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 172900155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).