1-N-propyl-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C18H23N5O2 — CID 109072136

IUPAC1-N-propyl-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCNC(=O)c1nc(C(=O)NCc2ccncc2)n2c1CCCC2
InChIInChI=1S/C18H23N5O2/c1-2-8-20-17(24)15-14-5-3-4-11-23(14)16(22-15)18(25)21-12-13-6-9-19-10-7-13/h6-7,9-10H,2-5,8,11-12H2,1H3,(H,20,24)(H,21,25)
InChIKeyIYKMTGFADUCZFG-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.68
Rot. Bonds6

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

1-N-propyl-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109072136) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-N-propyl-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-propyl-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109072136
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-N-propyl-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCNC(=O)c1nc(C(=O)NCc2ccncc2)n2c1CCCC2
InChIInChI=1S/C18H23N5O2/c1-2-8-20-17(24)15-14-5-3-4-11-23(14)16(22-15)18(25)21-12-13-6-9-19-10-7-13/h6-7,9-10H,2-5,8,11-12H2,1H3,(H,20,24)(H,21,25)
InChIKeyIYKMTGFADUCZFG-UHFFFAOYSA-N
XLogP1.68
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[(4-methylphenyl)methyl]-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072278
1-N-prop-2-enyl-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073064
3-N-[(3-methylphenyl)methyl]-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072122
1-N-phenyl-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076518
3-N-propyl-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072289
1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076526
1-N-[(2-fluorophenyl)methyl]-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072281
1-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109074834
1-N-(oxolan-2-ylmethyl)-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075509
1-N-benzyl-3-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075686
3-N-prop-2-enyl-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072098
3-N-[(4-methylphenyl)methyl]-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073607

Frequently Asked Questions

What is the IUPAC name of 1-N-propyl-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-propyl-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109072136) is 1-N-propyl-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-propyl-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-propyl-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCNC(=O)c1nc(C(=O)NCc2ccncc2)n2c1CCCC2.
What is the InChIKey of 1-N-propyl-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is IYKMTGFADUCZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-8-20-17(24)15-14-5-3-4-11-23(14)16(22-15)18(25)21-12-13-6-9-19-10-7-13/h6-7,9-10H,2-5,8,11-12H2,1H3,(H,20,24)(H,21,25).
What are the key properties of 1-N-propyl-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-propyl-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-propyl-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109072136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).