1-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)-3-pyridin-3-ylpyrazole-4-carboxamide

C18H23N5O2 — CID 56821126

IUPAC1-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCC(=O)N2CCCCC2)c(-c2cccnc2)n1
InChIInChI=1S/C18H23N5O2/c1-22-13-15(17(21-22)14-6-5-8-19-12-14)18(25)20-9-7-16(24)23-10-3-2-4-11-23/h5-6,8,12-13H,2-4,7,9-11H2,1H3,(H,20,25)
InChIKeyXNPSFDHGXKRNSW-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.61
Rot. Bonds5

About 1-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)-3-pyridin-3-ylpyrazole-4-carboxamide

1-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 56821126) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID56821126
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name1-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCC(=O)N2CCCCC2)c(-c2cccnc2)n1
InChIInChI=1S/C18H23N5O2/c1-22-13-15(17(21-22)14-6-5-8-19-12-14)18(25)20-9-7-16(24)23-10-3-2-4-11-23/h5-6,8,12-13H,2-4,7,9-11H2,1H3,(H,20,25)
InChIKeyXNPSFDHGXKRNSW-UHFFFAOYSA-N
XLogP1.61
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)-3-pyridin-3-ylpyrazole-4-carboxamide (CID 56821126) is 1-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)-3-pyridin-3-ylpyrazole-4-carboxamide is Cn1cc(C(=O)NCCC(=O)N2CCCCC2)c(-c2cccnc2)n1.
What is the InChIKey of 1-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is XNPSFDHGXKRNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22-13-15(17(21-22)14-6-5-8-19-12-14)18(25)20-9-7-16(24)23-10-3-2-4-11-23/h5-6,8,12-13H,2-4,7,9-11H2,1H3,(H,20,25).
What are the key properties of 1-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)-3-pyridin-3-ylpyrazole-4-carboxamide?
1-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 56821126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).