N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

C12H19N3O — CID 71911618

IUPACN-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc2n1CCCC2
InChIInChI=1S/C12H19N3O/c1-12(2,3)14-11(16)9-8-13-10-6-4-5-7-15(9)10/h8H,4-7H2,1-3H3,(H,14,16)
InChIKeyJGFBLXJHZRTIQV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.75
Rot. Bonds1

About N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71911618) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71911618
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc2n1CCCC2
InChIInChI=1S/C12H19N3O/c1-12(2,3)14-11(16)9-8-13-10-6-4-5-7-15(9)10/h8H,4-7H2,1-3H3,(H,14,16)
InChIKeyJGFBLXJHZRTIQV-UHFFFAOYSA-N
XLogP1.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (CID 71911618) is N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is CC(C)(C)NC(=O)c1cnc2n1CCCC2.
What is the InChIKey of N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is JGFBLXJHZRTIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,3)14-11(16)9-8-13-10-6-4-5-7-15(9)10/h8H,4-7H2,1-3H3,(H,14,16).
What are the key properties of N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71911618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).