N-(1-adamantylmethyl)-2-(cyanomethyl)imidazo[1,2-a]pyridine-5-carboxamide

C21H24N4O — CID 70862596

IUPACN-(1-adamantylmethyl)-2-(cyanomethyl)imidazo[1,2-a]pyridine-5-carboxamide
SMILESN#CCc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1
InChIInChI=1S/C21H24N4O/c22-5-4-17-12-25-18(2-1-3-19(25)24-17)20(26)23-13-21-9-14-6-15(10-21)8-16(7-14)11-21/h1-3,12,14-16H,4,6-11,13H2,(H,23,26)
InChIKeyWXHDNDWNVLXXMW-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.35
Rot. Bonds4

About N-(1-adamantylmethyl)-2-(cyanomethyl)imidazo[1,2-a]pyridine-5-carboxamide

N-(1-adamantylmethyl)-2-(cyanomethyl)imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 70862596) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-(cyanomethyl)imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-(cyanomethyl)imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID70862596
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-(1-adamantylmethyl)-2-(cyanomethyl)imidazo[1,2-a]pyridine-5-carboxamide
SMILESN#CCc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1
InChIInChI=1S/C21H24N4O/c22-5-4-17-12-25-18(2-1-3-19(25)24-17)20(26)23-13-21-9-14-6-15(10-21)8-16(7-14)11-21/h1-3,12,14-16H,4,6-11,13H2,(H,23,26)
InChIKeyWXHDNDWNVLXXMW-UHFFFAOYSA-N
XLogP3.35
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-(cyanomethyl)imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-2-(cyanomethyl)imidazo[1,2-a]pyridine-5-carboxamide (CID 70862596) is N-(1-adamantylmethyl)-2-(cyanomethyl)imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-(cyanomethyl)imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-(cyanomethyl)imidazo[1,2-a]pyridine-5-carboxamide is N#CCc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1.
What is the InChIKey of N-(1-adamantylmethyl)-2-(cyanomethyl)imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is WXHDNDWNVLXXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c22-5-4-17-12-25-18(2-1-3-19(25)24-17)20(26)23-13-21-9-14-6-15(10-21)8-16(7-14)11-21/h1-3,12,14-16H,4,6-11,13H2,(H,23,26).
What are the key properties of N-(1-adamantylmethyl)-2-(cyanomethyl)imidazo[1,2-a]pyridine-5-carboxamide?
N-(1-adamantylmethyl)-2-(cyanomethyl)imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-(cyanomethyl)imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 70862596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).