2-[2-[(3-hydroxy-3-methylbutyl)-methylamino]-2-oxoethyl]-N-[(5-methyl-7-tricyclo[5.2.1.03,9]decanyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide

C28H40N4O3 — CID 163464821

IUPAC2-[2-[(3-hydroxy-3-methylbutyl)-methylamino]-2-oxoethyl]-N-[(5-methyl-7-tricyclo[5.2.1.03,9]decanyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCC1CC2CC3CC(CNC(=O)c4cccc5nc(CC(=O)N(C)CCC(C)(C)O)cn45)(C1)CC23
InChIInChI=1S/C28H40N4O3/c1-18-10-19-11-20-14-28(13-18,15-22(19)20)17-29-26(34)23-6-5-7-24-30-21(16-32(23)24)12-25(33)31(4)9-8-27(2,3)35/h5-7,16,18-20,22,35H,8-15,17H2,1-4H3,(H,29,34)
InChIKeyBRQHFHLKCNUTRH-UHFFFAOYSA-N
MW480.65 g/mol
LogP3.69
Rot. Bonds8

About 2-[2-[(3-hydroxy-3-methylbutyl)-methylamino]-2-oxoethyl]-N-[(5-methyl-7-tricyclo[5.2.1.03,9]decanyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide

2-[2-[(3-hydroxy-3-methylbutyl)-methylamino]-2-oxoethyl]-N-[(5-methyl-7-tricyclo[5.2.1.03,9]decanyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 163464821) has the molecular formula C28H40N4O3 and a molecular weight of 480.65 g/mol. Its IUPAC name is 2-[2-[(3-hydroxy-3-methylbutyl)-methylamino]-2-oxoethyl]-N-[(5-methyl-7-tricyclo[5.2.1.03,9]decanyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-[2-[(3-hydroxy-3-methylbutyl)-methylamino]-2-oxoethyl]-N-[(5-methyl-7-tricyclo[5.2.1.03,9]decanyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID163464821
Molecular FormulaC28H40N4O3
Molecular Weight480.65 g/mol
Exact Mass480.31
IUPAC Name2-[2-[(3-hydroxy-3-methylbutyl)-methylamino]-2-oxoethyl]-N-[(5-methyl-7-tricyclo[5.2.1.03,9]decanyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCC1CC2CC3CC(CNC(=O)c4cccc5nc(CC(=O)N(C)CCC(C)(C)O)cn45)(C1)CC23
InChIInChI=1S/C28H40N4O3/c1-18-10-19-11-20-14-28(13-18,15-22(19)20)17-29-26(34)23-6-5-7-24-30-21(16-32(23)24)12-25(33)31(4)9-8-27(2,3)35/h5-7,16,18-20,22,35H,8-15,17H2,1-4H3,(H,29,34)
InChIKeyBRQHFHLKCNUTRH-UHFFFAOYSA-N
XLogP3.69
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.65
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(3-hydroxy-3-methylbutyl)-methylamino]-2-oxoethyl]-N-[(5-methyl-7-tricyclo[5.2.1.03,9]decanyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide with MolForge

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Related Compounds

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CID 127039168
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CID 168324516
CID 168324516
CID 165413740
CID 165413740
CID 165414023
CID 165414023
CID 165414220
CID 165414220
CID 25266566
CID 25266566
CID 25267271
CID 25267271
CID 70862564
CID 70862564
CID 70862709
CID 70862709
CID 70862767
CID 70862767
CID 89521639
CID 89521639

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-hydroxy-3-methylbutyl)-methylamino]-2-oxoethyl]-N-[(5-methyl-7-tricyclo[5.2.1.03,9]decanyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of 2-[2-[(3-hydroxy-3-methylbutyl)-methylamino]-2-oxoethyl]-N-[(5-methyl-7-tricyclo[5.2.1.03,9]decanyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide (CID 163464821) is 2-[2-[(3-hydroxy-3-methylbutyl)-methylamino]-2-oxoethyl]-N-[(5-methyl-7-tricyclo[5.2.1.03,9]decanyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for 2-[2-[(3-hydroxy-3-methylbutyl)-methylamino]-2-oxoethyl]-N-[(5-methyl-7-tricyclo[5.2.1.03,9]decanyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for 2-[2-[(3-hydroxy-3-methylbutyl)-methylamino]-2-oxoethyl]-N-[(5-methyl-7-tricyclo[5.2.1.03,9]decanyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide is CC1CC2CC3CC(CNC(=O)c4cccc5nc(CC(=O)N(C)CCC(C)(C)O)cn45)(C1)CC23.
What is the InChIKey of 2-[2-[(3-hydroxy-3-methylbutyl)-methylamino]-2-oxoethyl]-N-[(5-methyl-7-tricyclo[5.2.1.03,9]decanyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is BRQHFHLKCNUTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O3/c1-18-10-19-11-20-14-28(13-18,15-22(19)20)17-29-26(34)23-6-5-7-24-30-21(16-32(23)24)12-25(33)31(4)9-8-27(2,3)35/h5-7,16,18-20,22,35H,8-15,17H2,1-4H3,(H,29,34).
What are the key properties of 2-[2-[(3-hydroxy-3-methylbutyl)-methylamino]-2-oxoethyl]-N-[(5-methyl-7-tricyclo[5.2.1.03,9]decanyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide?
2-[2-[(3-hydroxy-3-methylbutyl)-methylamino]-2-oxoethyl]-N-[(5-methyl-7-tricyclo[5.2.1.03,9]decanyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 480.65 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-hydroxy-3-methylbutyl)-methylamino]-2-oxoethyl]-N-[(5-methyl-7-tricyclo[5.2.1.03,9]decanyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 163464821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).