3-N-(4-cyanophenyl)-1-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H19N5O3 — CID 109076123

IUPAC3-N-(4-cyanophenyl)-1-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESN#Cc1ccc(NC(=O)c2nc(C(=O)NCc3ccco3)c3n2CCCC3)cc1
InChIInChI=1S/C21H19N5O3/c22-12-14-6-8-15(9-7-14)24-21(28)19-25-18(17-5-1-2-10-26(17)19)20(27)23-13-16-4-3-11-29-16/h3-4,6-9,11H,1-2,5,10,13H2,(H,23,27)(H,24,28)
InChIKeyDREJDINYHBQQPJ-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.87
Rot. Bonds5

About 3-N-(4-cyanophenyl)-1-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-(4-cyanophenyl)-1-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109076123) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 3-N-(4-cyanophenyl)-1-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-cyanophenyl)-1-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109076123
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name3-N-(4-cyanophenyl)-1-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESN#Cc1ccc(NC(=O)c2nc(C(=O)NCc3ccco3)c3n2CCCC3)cc1
InChIInChI=1S/C21H19N5O3/c22-12-14-6-8-15(9-7-14)24-21(28)19-25-18(17-5-1-2-10-26(17)19)20(27)23-13-16-4-3-11-29-16/h3-4,6-9,11H,1-2,5,10,13H2,(H,23,27)(H,24,28)
InChIKeyDREJDINYHBQQPJ-UHFFFAOYSA-N
XLogP2.87
TPSA112.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-benzyl-1-N-(4-cyanophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076224
1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076099
3-N-(4-cyanophenyl)-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076675
3-N-(2,4-dimethylphenyl)-1-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076103
N-(4-cyanophenyl)-1-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109074597
1-N-(furan-2-ylmethyl)-3-N-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076117
1-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076161
1-N-[(4-fluorophenyl)methyl]-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076351
3-N-(4-methylphenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073647
3-N-phenyl-1-N-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076535
N-(3-cyanophenyl)-1-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109075405
2-(4-cyanophenyl)-N-(furan-2-ylmethyl)acetamide
CID 62404887

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-cyanophenyl)-1-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-(4-cyanophenyl)-1-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109076123) is 3-N-(4-cyanophenyl)-1-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-cyanophenyl)-1-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(4-cyanophenyl)-1-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is N#Cc1ccc(NC(=O)c2nc(C(=O)NCc3ccco3)c3n2CCCC3)cc1.
What is the InChIKey of 3-N-(4-cyanophenyl)-1-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is DREJDINYHBQQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c22-12-14-6-8-15(9-7-14)24-21(28)19-25-18(17-5-1-2-10-26(17)19)20(27)23-13-16-4-3-11-29-16/h3-4,6-9,11H,1-2,5,10,13H2,(H,23,27)(H,24,28).
What are the key properties of 3-N-(4-cyanophenyl)-1-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(4-cyanophenyl)-1-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-cyanophenyl)-1-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109076123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).