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

C25H34N4O3 — CID 25270761

IUPACN-(1-adamantylmethyl)-2-[2-(3-hydroxybutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCC(O)CCNC(=O)Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1
InChIInChI=1S/C25H34N4O3/c1-16(30)5-6-26-23(31)10-20-14-29-21(3-2-4-22(29)28-20)24(32)27-15-25-11-17-7-18(12-25)9-19(8-17)13-25/h2-4,14,16-19,30H,5-13,15H2,1H3,(H,26,31)(H,27,32)
InChIKeyQMMNDHLSXXQHLU-UHFFFAOYSA-N
MW438.57 g/mol
LogP2.71
Rot. Bonds8

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

N-(1-adamantylmethyl)-2-[2-(3-hydroxybutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 25270761) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[2-(3-hydroxybutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[2-(3-hydroxybutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID25270761
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC NameN-(1-adamantylmethyl)-2-[2-(3-hydroxybutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCC(O)CCNC(=O)Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1
InChIInChI=1S/C25H34N4O3/c1-16(30)5-6-26-23(31)10-20-14-29-21(3-2-4-22(29)28-20)24(32)27-15-25-11-17-7-18(12-25)9-19(8-17)13-25/h2-4,14,16-19,30H,5-13,15H2,1H3,(H,26,31)(H,27,32)
InChIKeyQMMNDHLSXXQHLU-UHFFFAOYSA-N
XLogP2.71
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[2-(3-hydroxybutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[2-(3-hydroxybutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide (CID 25270761) is N-(1-adamantylmethyl)-2-[2-(3-hydroxybutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[2-(3-hydroxybutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[2-(3-hydroxybutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide is CC(O)CCNC(=O)Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1.
What is the InChIKey of N-(1-adamantylmethyl)-2-[2-(3-hydroxybutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is QMMNDHLSXXQHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-16(30)5-6-26-23(31)10-20-14-29-21(3-2-4-22(29)28-20)24(32)27-15-25-11-17-7-18(12-25)9-19(8-17)13-25/h2-4,14,16-19,30H,5-13,15H2,1H3,(H,26,31)(H,27,32).
What are the key properties of N-(1-adamantylmethyl)-2-[2-(3-hydroxybutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
N-(1-adamantylmethyl)-2-[2-(3-hydroxybutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 438.57 g/mol, XLogP of 2.71, 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-hydroxybutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 25270761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).