N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide

C25H27N3O2 — CID 42694599

IUPACN-[2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide
SMILESCOc1cccc(-c2nc3ccccn3c2NC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C25H27N3O2/c1-30-20-6-4-5-19(12-20)22-23(28-8-3-2-7-21(28)26-22)27-24(29)25-13-16-9-17(14-25)11-18(10-16)15-25/h2-8,12,16-18H,9-11,13-15H2,1H3,(H,27,29)
InChIKeyDUXRPEOWUHQTBD-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.16
Rot. Bonds4

About N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide

N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide (PubChem CID 42694599) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide
PubChem CID42694599
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-[2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide
SMILESCOc1cccc(-c2nc3ccccn3c2NC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C25H27N3O2/c1-30-20-6-4-5-19(12-20)22-23(28-8-3-2-7-21(28)26-22)27-24(29)25-13-16-9-17(14-25)11-18(10-16)15-25/h2-8,12,16-18H,9-11,13-15H2,1H3,(H,27,29)
InChIKeyDUXRPEOWUHQTBD-UHFFFAOYSA-N
XLogP5.16
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide
CID 42693906
N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]adamantane-1-carboxamide
CID 108728899
N-[7-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide
CID 42694530
1-(2,5-dimethoxyphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 50847606
2-chloro-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 42693936
[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 3-methoxybenzoate
CID 3349972
3,5-dichloro-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42693942
2-methoxy-N-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 3833516
N-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide
CID 42693768
N-[2-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-methylpropanamide
CID 42694469
3,4,5-trimethoxy-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 3378236
N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylsulfanylacetamide
CID 42693934

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide (CID 42694599) is N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide is COc1cccc(-c2nc3ccccn3c2NC(=O)C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide?
The InChIKey is DUXRPEOWUHQTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-30-20-6-4-5-19(12-20)22-23(28-8-3-2-7-21(28)26-22)27-24(29)25-13-16-9-17(14-25)11-18(10-16)15-25/h2-8,12,16-18H,9-11,13-15H2,1H3,(H,27,29).
What are the key properties of N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide?
N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide is sourced from PubChem (CID 42694599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).