4-N,4-N-dimethyl-1-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide

C18H24N6O2 — CID 87004175

IUPAC4-N,4-N-dimethyl-1-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)NCc2ccnc(-n3cccn3)c2)CC1
InChIInChI=1S/C18H24N6O2/c1-22(2)17(25)15-5-10-23(11-6-15)18(26)20-13-14-4-8-19-16(12-14)24-9-3-7-21-24/h3-4,7-9,12,15H,5-6,10-11,13H2,1-2H3,(H,20,26)
InChIKeyLMBDRDMANVNDQS-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.28
Rot. Bonds4

About 4-N,4-N-dimethyl-1-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide

4-N,4-N-dimethyl-1-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide (PubChem CID 87004175) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide
PubChem CID87004175
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name4-N,4-N-dimethyl-1-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)NCc2ccnc(-n3cccn3)c2)CC1
InChIInChI=1S/C18H24N6O2/c1-22(2)17(25)15-5-10-23(11-6-15)18(26)20-13-14-4-8-19-16(12-14)24-9-3-7-21-24/h3-4,7-9,12,15H,5-6,10-11,13H2,1-2H3,(H,20,26)
InChIKeyLMBDRDMANVNDQS-UHFFFAOYSA-N
XLogP1.28
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N,4-N-dimethyl-1-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide (CID 87004175) is 4-N,4-N-dimethyl-1-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide is CN(C)C(=O)C1CCN(C(=O)NCc2ccnc(-n3cccn3)c2)CC1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide?
The InChIKey is LMBDRDMANVNDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-22(2)17(25)15-5-10-23(11-6-15)18(26)20-13-14-4-8-19-16(12-14)24-9-3-7-21-24/h3-4,7-9,12,15H,5-6,10-11,13H2,1-2H3,(H,20,26).
What are the key properties of 4-N,4-N-dimethyl-1-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide?
4-N,4-N-dimethyl-1-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 87004175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).