6-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-N-(oxan-2-yloxy)imidazo[1,2-a]pyridine-3-carboxamide

C21H22N4O3 — CID 155787600

IUPAC6-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-N-(oxan-2-yloxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(/C=C\c2ccc3ncc(C(=O)NOC4CCCCO4)n3c2)n1
InChIInChI=1S/C21H22N4O3/c1-15-5-4-6-17(23-15)10-8-16-9-11-19-22-13-18(25(19)14-16)21(26)24-28-20-7-2-3-12-27-20/h4-6,8-11,13-14,20H,2-3,7,12H2,1H3,(H,24,26)/b10-8-
InChIKeyQHCGSHRWYSOJAP-NTMALXAHSA-N
MW378.43 g/mol
LogP3.40
Rot. Bonds5

About 6-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-N-(oxan-2-yloxy)imidazo[1,2-a]pyridine-3-carboxamide

6-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-N-(oxan-2-yloxy)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155787600) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 6-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-N-(oxan-2-yloxy)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-N-(oxan-2-yloxy)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155787600
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name6-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-N-(oxan-2-yloxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(/C=C\c2ccc3ncc(C(=O)NOC4CCCCO4)n3c2)n1
InChIInChI=1S/C21H22N4O3/c1-15-5-4-6-17(23-15)10-8-16-9-11-19-22-13-18(25(19)14-16)21(26)24-28-20-7-2-3-12-27-20/h4-6,8-11,13-14,20H,2-3,7,12H2,1H3,(H,24,26)/b10-8-
InChIKeyQHCGSHRWYSOJAP-NTMALXAHSA-N
XLogP3.40
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-N-(oxan-2-yloxy)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-N-(oxan-2-yloxy)imidazo[1,2-a]pyridine-3-carboxamide (CID 155787600) is 6-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-N-(oxan-2-yloxy)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-N-(oxan-2-yloxy)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-N-(oxan-2-yloxy)imidazo[1,2-a]pyridine-3-carboxamide is Cc1cccc(/C=C\c2ccc3ncc(C(=O)NOC4CCCCO4)n3c2)n1.
What is the InChIKey of 6-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-N-(oxan-2-yloxy)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is QHCGSHRWYSOJAP-NTMALXAHSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-15-5-4-6-17(23-15)10-8-16-9-11-19-22-13-18(25(19)14-16)21(26)24-28-20-7-2-3-12-27-20/h4-6,8-11,13-14,20H,2-3,7,12H2,1H3,(H,24,26)/b10-8-.
What are the key properties of 6-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-N-(oxan-2-yloxy)imidazo[1,2-a]pyridine-3-carboxamide?
6-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-N-(oxan-2-yloxy)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-N-(oxan-2-yloxy)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155787600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).