3-propoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide

C23H25N3O2 — CID 112833354

IUPAC3-propoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)c1
InChIInChI=1S/C23H25N3O2/c1-2-14-28-21-8-5-6-18(15-21)23(27)25-19-11-9-17(10-12-19)22-24-16-20-7-3-4-13-26(20)22/h5-6,8-12,15-16H,2-4,7,13-14H2,1H3,(H,25,27)
InChIKeyIVGSHVSZVBUVQQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.93
Rot. Bonds6

About 3-propoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide

3-propoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide (PubChem CID 112833354) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-propoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-propoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
PubChem CID112833354
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name3-propoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)c1
InChIInChI=1S/C23H25N3O2/c1-2-14-28-21-8-5-6-18(15-21)23(27)25-19-11-9-17(10-12-19)22-24-16-20-7-3-4-13-26(20)22/h5-6,8-12,15-16H,2-4,7,13-14H2,1H3,(H,25,27)
InChIKeyIVGSHVSZVBUVQQ-UHFFFAOYSA-N
XLogP4.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833016
2-(4-propoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
CID 112832914
4-ethoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833292
3-pyrrol-1-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833260
N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide
CID 2894189
3-bromo-4-ethoxy-5-methoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112832942
3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4960561
3-propoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 26161679
N-(4-anilinophenyl)-3-propoxybenzamide
CID 4960017
3-methoxy-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 2669753
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
N-[4-(propan-2-ylcarbamoyl)phenyl]-3-propoxybenzamide
CID 26157621

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide?
The IUPAC name of 3-propoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide (CID 112833354) is 3-propoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide.
What is the SMILES notation for 3-propoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide?
The canonical SMILES for 3-propoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide is CCCOc1cccc(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)c1.
What is the InChIKey of 3-propoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide?
The InChIKey is IVGSHVSZVBUVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-14-28-21-8-5-6-18(15-21)23(27)25-19-11-9-17(10-12-19)22-24-16-20-7-3-4-13-26(20)22/h5-6,8-12,15-16H,2-4,7,13-14H2,1H3,(H,25,27).
What are the key properties of 3-propoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide?
3-propoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide has a molecular weight of 375.47 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide is sourced from PubChem (CID 112833354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).