N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide

C16H17N5O2 — CID 47089200

IUPACN-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3ncccc3C#N)CC2)on1
InChIInChI=1S/C16H17N5O2/c1-11-9-14(23-20-11)16(22)19-13-4-7-21(8-5-13)15-12(10-17)3-2-6-18-15/h2-3,6,9,13H,4-5,7-8H2,1H3,(H,19,22)
InChIKeyUHTPKNHPVBIJIN-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.65
Rot. Bonds3

About N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide

N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 47089200) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID47089200
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3ncccc3C#N)CC2)on1
InChIInChI=1S/C16H17N5O2/c1-11-9-14(23-20-11)16(22)19-13-4-7-21(8-5-13)15-12(10-17)3-2-6-18-15/h2-3,6,9,13H,4-5,7-8H2,1H3,(H,19,22)
InChIKeyUHTPKNHPVBIJIN-UHFFFAOYSA-N
XLogP1.65
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide (CID 47089200) is N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NC2CCN(c3ncccc3C#N)CC2)on1.
What is the InChIKey of N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is UHTPKNHPVBIJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-11-9-14(23-20-11)16(22)19-13-4-7-21(8-5-13)15-12(10-17)3-2-6-18-15/h2-3,6,9,13H,4-5,7-8H2,1H3,(H,19,22).
What are the key properties of N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.65, 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-4-yl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 47089200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).