N-(1-adamantylmethyl)-2-[2-(3-hydroxypropylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide

C24H32N4O3 — CID 25270757

IUPACN-(1-adamantylmethyl)-2-[2-(3-hydroxypropylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESO=C(Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1)NCCCO
InChIInChI=1S/C24H32N4O3/c29-6-2-5-25-22(30)10-19-14-28-20(3-1-4-21(28)27-19)23(31)26-15-24-11-16-7-17(12-24)9-18(8-16)13-24/h1,3-4,14,16-18,29H,2,5-13,15H2,(H,25,30)(H,26,31)
InChIKeyBLXHEFDMGXVXLK-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.32
Rot. Bonds8

About N-(1-adamantylmethyl)-2-[2-(3-hydroxypropylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide

N-(1-adamantylmethyl)-2-[2-(3-hydroxypropylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 25270757) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[2-(3-hydroxypropylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[2-(3-hydroxypropylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID25270757
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-(1-adamantylmethyl)-2-[2-(3-hydroxypropylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESO=C(Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1)NCCCO
InChIInChI=1S/C24H32N4O3/c29-6-2-5-25-22(30)10-19-14-28-20(3-1-4-21(28)27-19)23(31)26-15-24-11-16-7-17(12-24)9-18(8-16)13-24/h1,3-4,14,16-18,29H,2,5-13,15H2,(H,25,30)(H,26,31)
InChIKeyBLXHEFDMGXVXLK-UHFFFAOYSA-N
XLogP2.32
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[2-(3-hydroxypropylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[2-(3-hydroxypropylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide (CID 25270757) is N-(1-adamantylmethyl)-2-[2-(3-hydroxypropylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[2-(3-hydroxypropylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[2-(3-hydroxypropylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide is O=C(Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1)NCCCO.
What is the InChIKey of N-(1-adamantylmethyl)-2-[2-(3-hydroxypropylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is BLXHEFDMGXVXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c29-6-2-5-25-22(30)10-19-14-28-20(3-1-4-21(28)27-19)23(31)26-15-24-11-16-7-17(12-24)9-18(8-16)13-24/h1,3-4,14,16-18,29H,2,5-13,15H2,(H,25,30)(H,26,31).
What are the key properties of N-(1-adamantylmethyl)-2-[2-(3-hydroxypropylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
N-(1-adamantylmethyl)-2-[2-(3-hydroxypropylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 2.32, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-[2-(3-hydroxypropylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 25270757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).