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

C15H20N4O — CID 155974197

IUPACN-tert-butyl-1-(2-cyano-3-pyridinyl)pyrrolidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(c2cccnc2C#N)C1
InChIInChI=1S/C15H20N4O/c1-15(2,3)18-14(20)11-6-8-19(10-11)13-5-4-7-17-12(13)9-16/h4-5,7,11H,6,8,10H2,1-3H3,(H,18,20)
InChIKeyNXWRMAPBEKJDSY-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.69
Rot. Bonds2

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

N-tert-butyl-1-(2-cyano-3-pyridinyl)pyrrolidine-3-carboxamide (PubChem CID 155974197) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-tert-butyl-1-(2-cyano-3-pyridinyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(2-cyano-3-pyridinyl)pyrrolidine-3-carboxamide
PubChem CID155974197
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-tert-butyl-1-(2-cyano-3-pyridinyl)pyrrolidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(c2cccnc2C#N)C1
InChIInChI=1S/C15H20N4O/c1-15(2,3)18-14(20)11-6-8-19(10-11)13-5-4-7-17-12(13)9-16/h4-5,7,11H,6,8,10H2,1-3H3,(H,18,20)
InChIKeyNXWRMAPBEKJDSY-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-(2-cyano-3-pyridinyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(2-cyano-3-pyridinyl)pyrrolidine-3-carboxamide (CID 155974197) is N-tert-butyl-1-(2-cyano-3-pyridinyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(2-cyano-3-pyridinyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(2-cyano-3-pyridinyl)pyrrolidine-3-carboxamide is CC(C)(C)NC(=O)C1CCN(c2cccnc2C#N)C1.
What is the InChIKey of N-tert-butyl-1-(2-cyano-3-pyridinyl)pyrrolidine-3-carboxamide?
The InChIKey is NXWRMAPBEKJDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(2,3)18-14(20)11-6-8-19(10-11)13-5-4-7-17-12(13)9-16/h4-5,7,11H,6,8,10H2,1-3H3,(H,18,20).
What are the key properties of N-tert-butyl-1-(2-cyano-3-pyridinyl)pyrrolidine-3-carboxamide?
N-tert-butyl-1-(2-cyano-3-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-(2-cyano-3-pyridinyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 155974197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).