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

C21H27N5O2 — CID 109074774

IUPAC3-N-cyclohexyl-1-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESO=C(NCc1cccnc1)c1nc(C(=O)NC2CCCCC2)n2c1CCCC2
InChIInChI=1S/C21H27N5O2/c27-20(23-14-15-7-6-11-22-13-15)18-17-10-4-5-12-26(17)19(25-18)21(28)24-16-8-2-1-3-9-16/h6-7,11,13,16H,1-5,8-10,12,14H2,(H,23,27)(H,24,28)
InChIKeyZOAKUNUIQFBBMK-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.61
Rot. Bonds5

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

3-N-cyclohexyl-1-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109074774) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-N-cyclohexyl-1-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-cyclohexyl-1-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109074774
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name3-N-cyclohexyl-1-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESO=C(NCc1cccnc1)c1nc(C(=O)NC2CCCCC2)n2c1CCCC2
InChIInChI=1S/C21H27N5O2/c27-20(23-14-15-7-6-11-22-13-15)18-17-10-4-5-12-26(17)19(25-18)21(28)24-16-8-2-1-3-9-16/h6-7,11,13,16H,1-5,8-10,12,14H2,(H,23,27)(H,24,28)
InChIKeyZOAKUNUIQFBBMK-UHFFFAOYSA-N
XLogP2.61
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-benzyl-3-N-cycloheptyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076181
3-N-benzyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074342
3-N-cyclopentyl-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074445
1-N-cyclopentyl-3-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074344
3-N-cycloheptyl-1-N-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074720
1-(morpholine-4-carbonyl)-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109075349
3-N-[(4-chlorophenyl)methyl]-1-N-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072747
3-N-cyclopentyl-1-N-[2-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074451
3-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075626
1-N-tert-butyl-3-N-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074778
3-N-cycloheptyl-1-N-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076939
1-N-propyl-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072136

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclohexyl-1-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-cyclohexyl-1-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109074774) is 3-N-cyclohexyl-1-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-cyclohexyl-1-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-cyclohexyl-1-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is O=C(NCc1cccnc1)c1nc(C(=O)NC2CCCCC2)n2c1CCCC2.
What is the InChIKey of 3-N-cyclohexyl-1-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is ZOAKUNUIQFBBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c27-20(23-14-15-7-6-11-22-13-15)18-17-10-4-5-12-26(17)19(25-18)21(28)24-16-8-2-1-3-9-16/h6-7,11,13,16H,1-5,8-10,12,14H2,(H,23,27)(H,24,28).
What are the key properties of 3-N-cyclohexyl-1-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-cyclohexyl-1-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclohexyl-1-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109074774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).