N-[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide

C26H29N3O2 — CID 42693906

IUPACN-[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide
SMILESCOc1ccccc1-c1nc2ccc(C)cn2c1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H29N3O2/c1-16-7-8-22-27-23(20-5-3-4-6-21(20)31-2)24(29(22)15-16)28-25(30)26-12-17-9-18(13-26)11-19(10-17)14-26/h3-8,15,17-19H,9-14H2,1-2H3,(H,28,30)
InChIKeyCSHCZOZFSHEQRX-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.47
Rot. Bonds4

About N-[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide

N-[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide (PubChem CID 42693906) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide
PubChem CID42693906
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide
SMILESCOc1ccccc1-c1nc2ccc(C)cn2c1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H29N3O2/c1-16-7-8-22-27-23(20-5-3-4-6-21(20)31-2)24(29(22)15-16)28-25(30)26-12-17-9-18(13-26)11-19(10-17)14-26/h3-8,15,17-19H,9-14H2,1-2H3,(H,28,30)
InChIKeyCSHCZOZFSHEQRX-UHFFFAOYSA-N
XLogP5.47
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide (CID 42693906) is N-[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide is COc1ccccc1-c1nc2ccc(C)cn2c1NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide?
The InChIKey is CSHCZOZFSHEQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-16-7-8-22-27-23(20-5-3-4-6-21(20)31-2)24(29(22)15-16)28-25(30)26-12-17-9-18(13-26)11-19(10-17)14-26/h3-8,15,17-19H,9-14H2,1-2H3,(H,28,30).
What are the key properties of N-[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide?
N-[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide is sourced from PubChem (CID 42693906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).