N-tert-butyl-1-(3-cyano-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxamide

C17H24N4O — CID 155799749

IUPACN-tert-butyl-1-(3-cyano-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)c(C#N)c(N2CCC(C(=O)NC(C)(C)C)C2)n1
InChIInChI=1S/C17H24N4O/c1-11-8-12(2)19-15(14(11)9-18)21-7-6-13(10-21)16(22)20-17(3,4)5/h8,13H,6-7,10H2,1-5H3,(H,20,22)
InChIKeyWYFKDHDAHFXYGM-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.31
Rot. Bonds2

About N-tert-butyl-1-(3-cyano-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxamide

N-tert-butyl-1-(3-cyano-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxamide (PubChem CID 155799749) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-tert-butyl-1-(3-cyano-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(3-cyano-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxamide
PubChem CID155799749
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-tert-butyl-1-(3-cyano-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)c(C#N)c(N2CCC(C(=O)NC(C)(C)C)C2)n1
InChIInChI=1S/C17H24N4O/c1-11-8-12(2)19-15(14(11)9-18)21-7-6-13(10-21)16(22)20-17(3,4)5/h8,13H,6-7,10H2,1-5H3,(H,20,22)
InChIKeyWYFKDHDAHFXYGM-UHFFFAOYSA-N
XLogP2.31
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.31
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-(3-cyano-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(3-cyano-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxamide (CID 155799749) is N-tert-butyl-1-(3-cyano-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(3-cyano-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(3-cyano-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxamide is Cc1cc(C)c(C#N)c(N2CCC(C(=O)NC(C)(C)C)C2)n1.
What is the InChIKey of N-tert-butyl-1-(3-cyano-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxamide?
The InChIKey is WYFKDHDAHFXYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-11-8-12(2)19-15(14(11)9-18)21-7-6-13(10-21)16(22)20-17(3,4)5/h8,13H,6-7,10H2,1-5H3,(H,20,22).
What are the key properties of N-tert-butyl-1-(3-cyano-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxamide?
N-tert-butyl-1-(3-cyano-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.31, 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-(3-cyano-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 155799749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).