N-tert-butyl-2-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)acetamide

C12H20N4O — CID 115357301

IUPACN-tert-butyl-2-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1cnc2c1CCNC2
InChIInChI=1S/C12H20N4O/c1-12(2,3)15-11(17)7-16-8-14-9-6-13-5-4-10(9)16/h8,13H,4-7H2,1-3H3,(H,15,17)
InChIKeyVCOAEKKBQRMNAK-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.44
Rot. Bonds2

About N-tert-butyl-2-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)acetamide

N-tert-butyl-2-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)acetamide (PubChem CID 115357301) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-tert-butyl-2-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)acetamide
PubChem CID115357301
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-tert-butyl-2-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1cnc2c1CCNC2
InChIInChI=1S/C12H20N4O/c1-12(2,3)15-11(17)7-16-8-14-9-6-13-5-4-10(9)16/h8,13H,4-7H2,1-3H3,(H,15,17)
InChIKeyVCOAEKKBQRMNAK-UHFFFAOYSA-N
XLogP0.44
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)acetamide (CID 115357301) is N-tert-butyl-2-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)acetamide is CC(C)(C)NC(=O)Cn1cnc2c1CCNC2.
What is the InChIKey of N-tert-butyl-2-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)acetamide?
The InChIKey is VCOAEKKBQRMNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(2,3)15-11(17)7-16-8-14-9-6-13-5-4-10(9)16/h8,13H,4-7H2,1-3H3,(H,15,17).
What are the key properties of N-tert-butyl-2-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)acetamide?
N-tert-butyl-2-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)acetamide has a molecular weight of 236.32 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)acetamide is sourced from PubChem (CID 115357301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).