3-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H29N5O2 — CID 109075728

IUPAC3-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCc1ccccc1NC(=O)c1nc(C(=O)NCCN(C)C)n2c1CCCC2
InChIInChI=1S/C21H29N5O2/c1-4-15-9-5-6-10-16(15)23-20(27)18-17-11-7-8-13-26(17)19(24-18)21(28)22-12-14-25(2)3/h5-6,9-10H,4,7-8,11-14H2,1-3H3,(H,22,28)(H,23,27)
InChIKeyVOXLKIRFXGXMDT-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.33
Rot. Bonds7

About 3-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109075728) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 3-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109075728
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name3-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCc1ccccc1NC(=O)c1nc(C(=O)NCCN(C)C)n2c1CCCC2
InChIInChI=1S/C21H29N5O2/c1-4-15-9-5-6-10-16(15)23-20(27)18-17-11-7-8-13-26(17)19(24-18)21(28)22-12-14-25(2)3/h5-6,9-10H,4,7-8,11-14H2,1-3H3,(H,22,28)(H,23,27)
InChIKeyVOXLKIRFXGXMDT-UHFFFAOYSA-N
XLogP2.33
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-cyclopropyl-1-N-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072956
3-N-[2-(dimethylamino)ethyl]-1-N-[4-(dimethylamino)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075748
1-N-benzyl-3-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075686
1-N-[3-(dimethylamino)propyl]-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075798
3-N-[2-(dimethylamino)ethyl]-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072422
3-N-[2-(dimethylamino)ethyl]-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075704
1-N-(2-propan-2-ylphenyl)-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072340
3-N-[2-(dimethylamino)ethyl]-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075708
1-N-(2-chlorophenyl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075138
3-N-(2-ethylphenyl)-1-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075533
1-N-(2-chlorophenyl)-3-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075308
3-N-(3-methoxypropyl)-1-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075287

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109075728) is 3-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCc1ccccc1NC(=O)c1nc(C(=O)NCCN(C)C)n2c1CCCC2.
What is the InChIKey of 3-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is VOXLKIRFXGXMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-4-15-9-5-6-10-16(15)23-20(27)18-17-11-7-8-13-26(17)19(24-18)21(28)22-12-14-25(2)3/h5-6,9-10H,4,7-8,11-14H2,1-3H3,(H,22,28)(H,23,27).
What are the key properties of 3-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109075728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).