N-(3-hydroxy-4-phenylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide

C18H23N3O2 — CID 75436873

IUPACN-(3-hydroxy-4-phenylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(NC(=O)C1CCn2ccnc2C1)C(O)Cc1ccccc1
InChIInChI=1S/C18H23N3O2/c1-13(16(22)11-14-5-3-2-4-6-14)20-18(23)15-7-9-21-10-8-19-17(21)12-15/h2-6,8,10,13,15-16,22H,7,9,11-12H2,1H3,(H,20,23)
InChIKeyDHWCXOPDOJDBNV-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.55
Rot. Bonds5

About N-(3-hydroxy-4-phenylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide

N-(3-hydroxy-4-phenylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 75436873) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(3-hydroxy-4-phenylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-phenylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
PubChem CID75436873
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(3-hydroxy-4-phenylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(NC(=O)C1CCn2ccnc2C1)C(O)Cc1ccccc1
InChIInChI=1S/C18H23N3O2/c1-13(16(22)11-14-5-3-2-4-6-14)20-18(23)15-7-9-21-10-8-19-17(21)12-15/h2-6,8,10,13,15-16,22H,7,9,11-12H2,1H3,(H,20,23)
InChIKeyDHWCXOPDOJDBNV-UHFFFAOYSA-N
XLogP1.55
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-phenylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of N-(3-hydroxy-4-phenylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide (CID 75436873) is N-(3-hydroxy-4-phenylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-phenylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-phenylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide is CC(NC(=O)C1CCn2ccnc2C1)C(O)Cc1ccccc1.
What is the InChIKey of N-(3-hydroxy-4-phenylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is DHWCXOPDOJDBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(16(22)11-14-5-3-2-4-6-14)20-18(23)15-7-9-21-10-8-19-17(21)12-15/h2-6,8,10,13,15-16,22H,7,9,11-12H2,1H3,(H,20,23).
What are the key properties of N-(3-hydroxy-4-phenylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide?
N-(3-hydroxy-4-phenylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-phenylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 75436873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).