1-N-(3-acetamidophenyl)-3-N-butan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H23N5O3 — CID 109067874

IUPAC1-N-(3-acetamidophenyl)-3-N-butan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCC(C)NC(=O)c1nc(C(=O)Nc2cccc(NC(C)=O)c2)c2ccccn12
InChIInChI=1S/C21H23N5O3/c1-4-13(2)22-21(29)19-25-18(17-10-5-6-11-26(17)19)20(28)24-16-9-7-8-15(12-16)23-14(3)27/h5-13H,4H2,1-3H3,(H,22,29)(H,23,27)(H,24,28)
InChIKeyYQNNKBFJSSLCMF-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.07
Rot. Bonds6

About 1-N-(3-acetamidophenyl)-3-N-butan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-(3-acetamidophenyl)-3-N-butan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109067874) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-N-(3-acetamidophenyl)-3-N-butan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-acetamidophenyl)-3-N-butan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109067874
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name1-N-(3-acetamidophenyl)-3-N-butan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCC(C)NC(=O)c1nc(C(=O)Nc2cccc(NC(C)=O)c2)c2ccccn12
InChIInChI=1S/C21H23N5O3/c1-4-13(2)22-21(29)19-25-18(17-10-5-6-11-26(17)19)20(28)24-16-9-7-8-15(12-16)23-14(3)27/h5-13H,4H2,1-3H3,(H,22,29)(H,23,27)(H,24,28)
InChIKeyYQNNKBFJSSLCMF-UHFFFAOYSA-N
XLogP3.07
TPSA104.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-butan-2-yl-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067826
3-N-butan-2-yl-1-N-(2,4,6-trimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067845
3-N-(3-acetamidophenyl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067228
3-N-butan-2-yl-1-N-(2-propan-2-yloxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067867
1-N-butan-2-yl-3-N-(4-cyanophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067760
1-N-butan-2-yl-3-N-(5-methyl-1,2-oxazol-3-yl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067765
3-N-(3-acetylphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067486
1-N-(3-acetamidophenyl)-3-N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074056
1-N-butan-2-yl-3-N-(2-ethyl-6-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067714
3-N-butan-2-yl-1-N,1-N-dipropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067823
1-N-butan-2-yl-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067690
1-N-butan-2-yl-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067644

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-acetamidophenyl)-3-N-butan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-acetamidophenyl)-3-N-butan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109067874) is 1-N-(3-acetamidophenyl)-3-N-butan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-acetamidophenyl)-3-N-butan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-acetamidophenyl)-3-N-butan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCC(C)NC(=O)c1nc(C(=O)Nc2cccc(NC(C)=O)c2)c2ccccn12.
What is the InChIKey of 1-N-(3-acetamidophenyl)-3-N-butan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is YQNNKBFJSSLCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-4-13(2)22-21(29)19-25-18(17-10-5-6-11-26(17)19)20(28)24-16-9-7-8-15(12-16)23-14(3)27/h5-13H,4H2,1-3H3,(H,22,29)(H,23,27)(H,24,28).
What are the key properties of 1-N-(3-acetamidophenyl)-3-N-butan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(3-acetamidophenyl)-3-N-butan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 393.45 g/mol, XLogP of 3.07, 6 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-butan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109067874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).