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

C17H29N5O2 — CID 109075704

IUPAC3-N-[2-(dimethylamino)ethyl]-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1nc(C(=O)NCCN(C)C)n2c1CCCC2
InChIInChI=1S/C17H29N5O2/c1-5-21(6-2)17(24)14-13-9-7-8-11-22(13)15(19-14)16(23)18-10-12-20(3)4/h5-12H2,1-4H3,(H,18,23)
InChIKeyPGOCSOJXVQJEKP-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.99
Rot. Bonds7

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

3-N-[2-(dimethylamino)ethyl]-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109075704) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-N-[2-(dimethylamino)ethyl]-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(dimethylamino)ethyl]-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109075704
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name3-N-[2-(dimethylamino)ethyl]-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1nc(C(=O)NCCN(C)C)n2c1CCCC2
InChIInChI=1S/C17H29N5O2/c1-5-21(6-2)17(24)14-13-9-7-8-11-22(13)15(19-14)16(23)18-10-12-20(3)4/h5-12H2,1-4H3,(H,18,23)
InChIKeyPGOCSOJXVQJEKP-UHFFFAOYSA-N
XLogP0.99
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075708
3-N-butyl-1-N,1-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073518
3-N-[3-(dimethylamino)propyl]-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075840
3-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075626
1-N-benzyl-3-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075686
3-N-benzyl-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076204
3-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075728
3-N-[2-(dimethylamino)ethyl]-1-N-[4-(dimethylamino)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075748
N-[2-(dimethylamino)ethyl]-1-(3-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109075712
3-N-[3-(dimethylamino)propyl]-1-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074965
1-N-[2-(dimethylamino)ethyl]-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075546

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(dimethylamino)ethyl]-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(dimethylamino)ethyl]-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109075704) is 3-N-[2-(dimethylamino)ethyl]-1-N,1-N-diethyl-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,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(dimethylamino)ethyl]-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCN(CC)C(=O)c1nc(C(=O)NCCN(C)C)n2c1CCCC2.
What is the InChIKey of 3-N-[2-(dimethylamino)ethyl]-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is PGOCSOJXVQJEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-5-21(6-2)17(24)14-13-9-7-8-11-22(13)15(19-14)16(23)18-10-12-20(3)4/h5-12H2,1-4H3,(H,18,23).
What are the key properties of 3-N-[2-(dimethylamino)ethyl]-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-[2-(dimethylamino)ethyl]-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 335.45 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(dimethylamino)ethyl]-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109075704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).