6-cyano-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyridine-3-carboxamide

C14H10N6O — CID 90651357

IUPAC6-cyano-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(C(=O)NCc2cnn3cccnc23)cn1
InChIInChI=1S/C14H10N6O/c15-6-12-3-2-10(7-17-12)14(21)18-8-11-9-19-20-5-1-4-16-13(11)20/h1-5,7,9H,8H2,(H,18,21)
InChIKeyNDYNGYJIPWPILA-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.93
Rot. Bonds3

About 6-cyano-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyridine-3-carboxamide

6-cyano-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 90651357) has the molecular formula C14H10N6O and a molecular weight of 278.28 g/mol. Its IUPAC name is 6-cyano-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyano-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID90651357
Molecular FormulaC14H10N6O
Molecular Weight278.28 g/mol
Exact Mass278.09
IUPAC Name6-cyano-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(C(=O)NCc2cnn3cccnc23)cn1
InChIInChI=1S/C14H10N6O/c15-6-12-3-2-10(7-17-12)14(21)18-8-11-9-19-20-5-1-4-16-13(11)20/h1-5,7,9H,8H2,(H,18,21)
InChIKeyNDYNGYJIPWPILA-UHFFFAOYSA-N
XLogP0.93
TPSA95.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-cyano-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyridine-3-carboxamide (CID 90651357) is 6-cyano-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-cyano-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-cyano-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyridine-3-carboxamide is N#Cc1ccc(C(=O)NCc2cnn3cccnc23)cn1.
What is the InChIKey of 6-cyano-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is NDYNGYJIPWPILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O/c15-6-12-3-2-10(7-17-12)14(21)18-8-11-9-19-20-5-1-4-16-13(11)20/h1-5,7,9H,8H2,(H,18,21).
What are the key properties of 6-cyano-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyridine-3-carboxamide?
6-cyano-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 278.28 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 90651357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).