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

C16H18N6O — CID 171993635

IUPACN-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCCN(c3ncccc3C#N)C2)cn1
InChIInChI=1S/C16H18N6O/c1-21-10-13(9-19-21)16(23)20-14-5-3-7-22(11-14)15-12(8-17)4-2-6-18-15/h2,4,6,9-10,14H,3,5,7,11H2,1H3,(H,20,23)
InChIKeyVYFGEIQCSWEADG-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.09
Rot. Bonds3

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

N-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 171993635) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
PubChem CID171993635
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCCN(c3ncccc3C#N)C2)cn1
InChIInChI=1S/C16H18N6O/c1-21-10-13(9-19-21)16(23)20-14-5-3-7-22(11-14)15-12(8-17)4-2-6-18-15/h2,4,6,9-10,14H,3,5,7,11H2,1H3,(H,20,23)
InChIKeyVYFGEIQCSWEADG-UHFFFAOYSA-N
XLogP1.09
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 172933795
N-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993653
N-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171994214
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993643
1-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 171993375
1-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 171996306
N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171997253
1-methyl-N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 171690523
N-[1-[(3-cyanophenyl)methyl]piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 172933813
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993320
3-chloro-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-4-pyrrolidin-1-ylbenzamide
CID 131934591
2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 133341927

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide (CID 171993635) is N-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCCN(c3ncccc3C#N)C2)cn1.
What is the InChIKey of N-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is VYFGEIQCSWEADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-21-10-13(9-19-21)16(23)20-14-5-3-7-22(11-14)15-12(8-17)4-2-6-18-15/h2,4,6,9-10,14H,3,5,7,11H2,1H3,(H,20,23).
What are the key properties of N-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
N-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 171993635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).