1-N-(3-acetamidophenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C20H25N5O3 — CID 109072685

IUPAC1-N-(3-acetamidophenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2nc(C(=O)NC(C)C)n3c2CCCC3)c1
InChIInChI=1S/C20H25N5O3/c1-12(2)21-20(28)18-24-17(16-9-4-5-10-25(16)18)19(27)23-15-8-6-7-14(11-15)22-13(3)26/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,21,28)(H,22,26)(H,23,27)
InChIKeyWVBXBXAYOZNLKZ-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.57
Rot. Bonds5

About 1-N-(3-acetamidophenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-(3-acetamidophenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109072685) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-N-(3-acetamidophenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-acetamidophenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109072685
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name1-N-(3-acetamidophenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2nc(C(=O)NC(C)C)n3c2CCCC3)c1
InChIInChI=1S/C20H25N5O3/c1-12(2)21-20(28)18-24-17(16-9-4-5-10-25(16)18)19(27)23-15-8-6-7-14(11-15)22-13(3)26/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,21,28)(H,22,26)(H,23,27)
InChIKeyWVBXBXAYOZNLKZ-UHFFFAOYSA-N
XLogP2.57
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(3-acetamidophenyl)-3-N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074056
3-N-propan-2-yl-1-N-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072681
3-N-(3-methoxyphenyl)-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072516
1-N-(2,6-dimethylphenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072643
methyl 4-[[3-(propan-2-ylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109072689
1-N,3-N-diphenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077427
N-(3-acetylphenyl)-3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109074303
1-N-(2,5-dimethylphenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072640
1-N-(3-methoxyphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077025
N-(3-acetylphenyl)-3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109074679
1-N-butan-2-yl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073890
1-N-benzyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072584

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-acetamidophenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-acetamidophenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109072685) is 1-N-(3-acetamidophenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-acetamidophenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-acetamidophenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CC(=O)Nc1cccc(NC(=O)c2nc(C(=O)NC(C)C)n3c2CCCC3)c1.
What is the InChIKey of 1-N-(3-acetamidophenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is WVBXBXAYOZNLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-12(2)21-20(28)18-24-17(16-9-4-5-10-25(16)18)19(27)23-15-8-6-7-14(11-15)22-13(3)26/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,21,28)(H,22,26)(H,23,27).
What are the key properties of 1-N-(3-acetamidophenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(3-acetamidophenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-acetamidophenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109072685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).