N-[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide

C15H17N7O — CID 171994191

IUPACN-[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCN(c3nccc(C#N)n3)CC2)n1
InChIInChI=1S/C15H17N7O/c1-21-7-5-13(20-21)14(23)18-11-3-8-22(9-4-11)15-17-6-2-12(10-16)19-15/h2,5-7,11H,3-4,8-9H2,1H3,(H,18,23)
InChIKeyDALXYUXPQPQKOC-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.48
Rot. Bonds3

About N-[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide

N-[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 171994191) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is N-[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
PubChem CID171994191
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC NameN-[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCN(c3nccc(C#N)n3)CC2)n1
InChIInChI=1S/C15H17N7O/c1-21-7-5-13(20-21)14(23)18-11-3-8-22(9-4-11)15-17-6-2-12(10-16)19-15/h2,5-7,11H,3-4,8-9H2,1H3,(H,18,23)
InChIKeyDALXYUXPQPQKOC-UHFFFAOYSA-N
XLogP0.48
TPSA99.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide (CID 171994191) is N-[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NC2CCN(c3nccc(C#N)n3)CC2)n1.
What is the InChIKey of N-[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is DALXYUXPQPQKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-21-7-5-13(20-21)14(23)18-11-3-8-22(9-4-11)15-17-6-2-12(10-16)19-15/h2,5-7,11H,3-4,8-9H2,1H3,(H,18,23).
What are the key properties of N-[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
N-[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 171994191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).