5-tert-butyl-6-cyano-N-cyclopropylpyridine-2-carboxamide

C14H17N3O — CID 176964992

IUPAC5-tert-butyl-6-cyano-N-cyclopropylpyridine-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NC2CC2)nc1C#N
InChIInChI=1S/C14H17N3O/c1-14(2,3)10-6-7-11(17-12(10)8-15)13(18)16-9-4-5-9/h6-7,9H,4-5H2,1-3H3,(H,16,18)
InChIKeySNCCQZKPCWBJEX-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.14
Rot. Bonds2

About 5-tert-butyl-6-cyano-N-cyclopropylpyridine-2-carboxamide

5-tert-butyl-6-cyano-N-cyclopropylpyridine-2-carboxamide (PubChem CID 176964992) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-tert-butyl-6-cyano-N-cyclopropylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-6-cyano-N-cyclopropylpyridine-2-carboxamide
PubChem CID176964992
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-tert-butyl-6-cyano-N-cyclopropylpyridine-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NC2CC2)nc1C#N
InChIInChI=1S/C14H17N3O/c1-14(2,3)10-6-7-11(17-12(10)8-15)13(18)16-9-4-5-9/h6-7,9H,4-5H2,1-3H3,(H,16,18)
InChIKeySNCCQZKPCWBJEX-UHFFFAOYSA-N
XLogP2.14
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-cyano-N-cyclopropylpyridine-2-carboxamide?
The IUPAC name of 5-tert-butyl-6-cyano-N-cyclopropylpyridine-2-carboxamide (CID 176964992) is 5-tert-butyl-6-cyano-N-cyclopropylpyridine-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-6-cyano-N-cyclopropylpyridine-2-carboxamide?
The canonical SMILES for 5-tert-butyl-6-cyano-N-cyclopropylpyridine-2-carboxamide is CC(C)(C)c1ccc(C(=O)NC2CC2)nc1C#N.
What is the InChIKey of 5-tert-butyl-6-cyano-N-cyclopropylpyridine-2-carboxamide?
The InChIKey is SNCCQZKPCWBJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(2,3)10-6-7-11(17-12(10)8-15)13(18)16-9-4-5-9/h6-7,9H,4-5H2,1-3H3,(H,16,18).
What are the key properties of 5-tert-butyl-6-cyano-N-cyclopropylpyridine-2-carboxamide?
5-tert-butyl-6-cyano-N-cyclopropylpyridine-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-cyano-N-cyclopropylpyridine-2-carboxamide is sourced from PubChem (CID 176964992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).