N-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide

C15H20N4O — CID 172890918

IUPACN-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(c2ccc(C#N)cn2)C1
InChIInChI=1S/C15H20N4O/c1-15(2,3)18-14(20)12-6-7-19(10-12)13-5-4-11(8-16)9-17-13/h4-5,9,12H,6-7,10H2,1-3H3,(H,18,20)
InChIKeyKDGCZGYOFVORGY-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.69
Rot. Bonds2

About N-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide

N-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide (PubChem CID 172890918) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide
PubChem CID172890918
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(c2ccc(C#N)cn2)C1
InChIInChI=1S/C15H20N4O/c1-15(2,3)18-14(20)12-6-7-19(10-12)13-5-4-11(8-16)9-17-13/h4-5,9,12H,6-7,10H2,1-3H3,(H,18,20)
InChIKeyKDGCZGYOFVORGY-UHFFFAOYSA-N
XLogP1.69
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide (CID 172890918) is N-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide is CC(C)(C)NC(=O)C1CCN(c2ccc(C#N)cn2)C1.
What is the InChIKey of N-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide?
The InChIKey is KDGCZGYOFVORGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(2,3)18-14(20)12-6-7-19(10-12)13-5-4-11(8-16)9-17-13/h4-5,9,12H,6-7,10H2,1-3H3,(H,18,20).
What are the key properties of N-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide?
N-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 172890918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).