1-N-(furan-2-ylmethyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C19H22N4O3 — CID 109070128

IUPAC1-N-(furan-2-ylmethyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)CCNC(=O)c1nc(C(=O)NCc2ccco2)c2ccccn12
InChIInChI=1S/C19H22N4O3/c1-13(2)8-9-20-19(25)17-22-16(15-7-3-4-10-23(15)17)18(24)21-12-14-6-5-11-26-14/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyHLDMNGKYNGZSMT-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.63
Rot. Bonds7

About 1-N-(furan-2-ylmethyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-(furan-2-ylmethyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109070128) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-N-(furan-2-ylmethyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(furan-2-ylmethyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109070128
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name1-N-(furan-2-ylmethyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)CCNC(=O)c1nc(C(=O)NCc2ccco2)c2ccccn12
InChIInChI=1S/C19H22N4O3/c1-13(2)8-9-20-19(25)17-22-16(15-7-3-4-10-23(15)17)18(24)21-12-14-6-5-11-26-14/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyHLDMNGKYNGZSMT-UHFFFAOYSA-N
XLogP2.63
TPSA88.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(furan-2-ylmethyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068870
1-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070124
1-N-[3-(dimethylamino)propyl]-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069770
3-N-(furan-2-ylmethyl)-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070188
1-N-[(2-fluorophenyl)methyl]-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070474
1-N-cyclohexyl-3-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068569
3-N-(furan-2-ylmethyl)-1-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070210
1-N-butan-2-yl-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067690
3-ethyl-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110674625
3-N-benzyl-1-N-(furan-2-ylmethyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070118
3-N-(2,4-dimethylphenyl)-1-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070141
3-N-(3-methylbutyl)-1-N,1-N-dipropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071304

Frequently Asked Questions

What is the IUPAC name of 1-N-(furan-2-ylmethyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(furan-2-ylmethyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109070128) is 1-N-(furan-2-ylmethyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(furan-2-ylmethyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(furan-2-ylmethyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is CC(C)CCNC(=O)c1nc(C(=O)NCc2ccco2)c2ccccn12.
What is the InChIKey of 1-N-(furan-2-ylmethyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is HLDMNGKYNGZSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13(2)8-9-20-19(25)17-22-16(15-7-3-4-10-23(15)17)18(24)21-12-14-6-5-11-26-14/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of 1-N-(furan-2-ylmethyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(furan-2-ylmethyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(furan-2-ylmethyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109070128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).