4-(2-methylphenoxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide

C18H23N3O2 — CID 86772130

IUPAC4-(2-methylphenoxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide
SMILESCc1ccccc1OCCCC(=O)NC1CCc2nccn2C1
InChIInChI=1S/C18H23N3O2/c1-14-5-2-3-6-16(14)23-12-4-7-18(22)20-15-8-9-17-19-10-11-21(17)13-15/h2-3,5-6,10-11,15H,4,7-9,12-13H2,1H3,(H,20,22)
InChIKeySQQYGURDNATOLN-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.48
Rot. Bonds6

About 4-(2-methylphenoxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide

4-(2-methylphenoxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide (PubChem CID 86772130) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide.

Molecular Properties

Compound Name4-(2-methylphenoxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide
PubChem CID86772130
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-(2-methylphenoxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide
SMILESCc1ccccc1OCCCC(=O)NC1CCc2nccn2C1
InChIInChI=1S/C18H23N3O2/c1-14-5-2-3-6-16(14)23-12-4-7-18(22)20-15-8-9-17-19-10-11-21(17)13-15/h2-3,5-6,10-11,15H,4,7-9,12-13H2,1H3,(H,20,22)
InChIKeySQQYGURDNATOLN-UHFFFAOYSA-N
XLogP2.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide?
The IUPAC name of 4-(2-methylphenoxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide (CID 86772130) is 4-(2-methylphenoxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide.
What is the SMILES notation for 4-(2-methylphenoxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide?
The canonical SMILES for 4-(2-methylphenoxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide is Cc1ccccc1OCCCC(=O)NC1CCc2nccn2C1.
What is the InChIKey of 4-(2-methylphenoxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide?
The InChIKey is SQQYGURDNATOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-5-2-3-6-16(14)23-12-4-7-18(22)20-15-8-9-17-19-10-11-21(17)13-15/h2-3,5-6,10-11,15H,4,7-9,12-13H2,1H3,(H,20,22).
What are the key properties of 4-(2-methylphenoxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide?
4-(2-methylphenoxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide has a molecular weight of 313.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide is sourced from PubChem (CID 86772130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).