N-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1-cyanocyclopentane-1-carboxamide

C18H26N4O — CID 86772766

IUPACN-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1-cyanocyclopentane-1-carboxamide
SMILESCC(C)(C)c1cn2c(n1)CCC(NC(=O)C1(C#N)CCCC1)C2
InChIInChI=1S/C18H26N4O/c1-17(2,3)14-11-22-10-13(6-7-15(22)21-14)20-16(23)18(12-19)8-4-5-9-18/h11,13H,4-10H2,1-3H3,(H,20,23)
InChIKeyGBGBNRLYOWNPGC-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.70
Rot. Bonds2

About N-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1-cyanocyclopentane-1-carboxamide

N-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1-cyanocyclopentane-1-carboxamide (PubChem CID 86772766) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1-cyanocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1-cyanocyclopentane-1-carboxamide
PubChem CID86772766
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1-cyanocyclopentane-1-carboxamide
SMILESCC(C)(C)c1cn2c(n1)CCC(NC(=O)C1(C#N)CCCC1)C2
InChIInChI=1S/C18H26N4O/c1-17(2,3)14-11-22-10-13(6-7-15(22)21-14)20-16(23)18(12-19)8-4-5-9-18/h11,13H,4-10H2,1-3H3,(H,20,23)
InChIKeyGBGBNRLYOWNPGC-UHFFFAOYSA-N
XLogP2.70
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1-cyanocyclopentane-1-carboxamide?
The IUPAC name of N-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1-cyanocyclopentane-1-carboxamide (CID 86772766) is N-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1-cyanocyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1-cyanocyclopentane-1-carboxamide?
The canonical SMILES for N-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1-cyanocyclopentane-1-carboxamide is CC(C)(C)c1cn2c(n1)CCC(NC(=O)C1(C#N)CCCC1)C2.
What is the InChIKey of N-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1-cyanocyclopentane-1-carboxamide?
The InChIKey is GBGBNRLYOWNPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-17(2,3)14-11-22-10-13(6-7-15(22)21-14)20-16(23)18(12-19)8-4-5-9-18/h11,13H,4-10H2,1-3H3,(H,20,23).
What are the key properties of N-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1-cyanocyclopentane-1-carboxamide?
N-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1-cyanocyclopentane-1-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1-cyanocyclopentane-1-carboxamide is sourced from PubChem (CID 86772766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).