N-(1-adamantylmethyl)-2-[[5-(dihydroxymethyl)-2-oxo-1-pyridinyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide

C26H30N4O4 — CID 143685630

IUPACN-(1-adamantylmethyl)-2-[[5-(dihydroxymethyl)-2-oxo-1-pyridinyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc2nc(Cn3cc(C(O)O)ccc3=O)cn12
InChIInChI=1S/C26H30N4O4/c31-23-5-4-19(25(33)34)12-29(23)13-20-14-30-21(2-1-3-22(30)28-20)24(32)27-15-26-9-16-6-17(10-26)8-18(7-16)11-26/h1-5,12,14,16-18,25,33-34H,6-11,13,15H2,(H,27,32)
InChIKeyPGMUTRAJTRQPGL-UHFFFAOYSA-N
MW462.55 g/mol
LogP2.47
Rot. Bonds6

About N-(1-adamantylmethyl)-2-[[5-(dihydroxymethyl)-2-oxo-1-pyridinyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide

N-(1-adamantylmethyl)-2-[[5-(dihydroxymethyl)-2-oxo-1-pyridinyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 143685630) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[[5-(dihydroxymethyl)-2-oxo-1-pyridinyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[[5-(dihydroxymethyl)-2-oxo-1-pyridinyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID143685630
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN-(1-adamantylmethyl)-2-[[5-(dihydroxymethyl)-2-oxo-1-pyridinyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc2nc(Cn3cc(C(O)O)ccc3=O)cn12
InChIInChI=1S/C26H30N4O4/c31-23-5-4-19(25(33)34)12-29(23)13-20-14-30-21(2-1-3-22(30)28-20)24(32)27-15-26-9-16-6-17(10-26)8-18(7-16)11-26/h1-5,12,14,16-18,25,33-34H,6-11,13,15H2,(H,27,32)
InChIKeyPGMUTRAJTRQPGL-UHFFFAOYSA-N
XLogP2.47
TPSA108.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[[5-(dihydroxymethyl)-2-oxo-1-pyridinyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[[5-(dihydroxymethyl)-2-oxo-1-pyridinyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide (CID 143685630) is N-(1-adamantylmethyl)-2-[[5-(dihydroxymethyl)-2-oxo-1-pyridinyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[[5-(dihydroxymethyl)-2-oxo-1-pyridinyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[[5-(dihydroxymethyl)-2-oxo-1-pyridinyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc2nc(Cn3cc(C(O)O)ccc3=O)cn12.
What is the InChIKey of N-(1-adamantylmethyl)-2-[[5-(dihydroxymethyl)-2-oxo-1-pyridinyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is PGMUTRAJTRQPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c31-23-5-4-19(25(33)34)12-29(23)13-20-14-30-21(2-1-3-22(30)28-20)24(32)27-15-26-9-16-6-17(10-26)8-18(7-16)11-26/h1-5,12,14,16-18,25,33-34H,6-11,13,15H2,(H,27,32).
What are the key properties of N-(1-adamantylmethyl)-2-[[5-(dihydroxymethyl)-2-oxo-1-pyridinyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide?
N-(1-adamantylmethyl)-2-[[5-(dihydroxymethyl)-2-oxo-1-pyridinyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-[[5-(dihydroxymethyl)-2-oxo-1-pyridinyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 143685630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).