2-acetyl-N-(3-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide

C22H25N3O2 — CID 143685610

IUPAC2-acetyl-N-(3-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide
SMILESCC(=O)c1cn2c(C(=O)NCC34CC5CC6CC(C3)C4(C6)C5)cccc2n1
InChIInChI=1S/C22H25N3O2/c1-13(26)17-11-25-18(3-2-4-19(25)24-17)20(27)23-12-21-7-15-5-14-6-16(10-21)22(21,8-14)9-15/h2-4,11,14-16H,5-10,12H2,1H3,(H,23,27)
InChIKeyKVFOSMPIHJNKQO-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.48
Rot. Bonds4

About 2-acetyl-N-(3-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide

2-acetyl-N-(3-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 143685610) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-acetyl-N-(3-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-acetyl-N-(3-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID143685610
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-acetyl-N-(3-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide
SMILESCC(=O)c1cn2c(C(=O)NCC34CC5CC6CC(C3)C4(C6)C5)cccc2n1
InChIInChI=1S/C22H25N3O2/c1-13(26)17-11-25-18(3-2-4-19(25)24-17)20(27)23-12-21-7-15-5-14-6-16(10-21)22(21,8-14)9-15/h2-4,11,14-16H,5-10,12H2,1H3,(H,23,27)
InChIKeyKVFOSMPIHJNKQO-UHFFFAOYSA-N
XLogP3.48
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-(3-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of 2-acetyl-N-(3-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide (CID 143685610) is 2-acetyl-N-(3-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for 2-acetyl-N-(3-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for 2-acetyl-N-(3-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide is CC(=O)c1cn2c(C(=O)NCC34CC5CC6CC(C3)C4(C6)C5)cccc2n1.
What is the InChIKey of 2-acetyl-N-(3-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is KVFOSMPIHJNKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-13(26)17-11-25-18(3-2-4-19(25)24-17)20(27)23-12-21-7-15-5-14-6-16(10-21)22(21,8-14)9-15/h2-4,11,14-16H,5-10,12H2,1H3,(H,23,27).
What are the key properties of 2-acetyl-N-(3-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide?
2-acetyl-N-(3-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-(3-tetracyclo[5.3.1.03,9.05,9]undecanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 143685610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).