3-N-[2-(dimethylamino)ethyl]-1-N-[4-(dimethylamino)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H30N6O2 — CID 109075748

IUPAC3-N-[2-(dimethylamino)ethyl]-1-N-[4-(dimethylamino)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCN(C)CCNC(=O)c1nc(C(=O)Nc2ccc(N(C)C)cc2)c2n1CCCC2
InChIInChI=1S/C21H30N6O2/c1-25(2)14-12-22-21(29)19-24-18(17-7-5-6-13-27(17)19)20(28)23-15-8-10-16(11-9-15)26(3)4/h8-11H,5-7,12-14H2,1-4H3,(H,22,29)(H,23,28)
InChIKeyALHSCDFSHFRIQO-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.83
Rot. Bonds7

About 3-N-[2-(dimethylamino)ethyl]-1-N-[4-(dimethylamino)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-[2-(dimethylamino)ethyl]-1-N-[4-(dimethylamino)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109075748) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-N-[2-(dimethylamino)ethyl]-1-N-[4-(dimethylamino)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(dimethylamino)ethyl]-1-N-[4-(dimethylamino)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109075748
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name3-N-[2-(dimethylamino)ethyl]-1-N-[4-(dimethylamino)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCN(C)CCNC(=O)c1nc(C(=O)Nc2ccc(N(C)C)cc2)c2n1CCCC2
InChIInChI=1S/C21H30N6O2/c1-25(2)14-12-22-21(29)19-24-18(17-7-5-6-13-27(17)19)20(28)23-15-8-10-16(11-9-15)26(3)4/h8-11H,5-7,12-14H2,1-4H3,(H,22,29)(H,23,28)
InChIKeyALHSCDFSHFRIQO-UHFFFAOYSA-N
XLogP1.83
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N-[4-(diethylamino)phenyl]-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072382
3-N-cyclopentyl-1-N-[4-(dimethylamino)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074498
3-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075728
N-[4-(dimethylamino)phenyl]-1-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109074186
3-N-[2-(dimethylamino)ethyl]-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072422
1-N-benzyl-3-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075686
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-[2-(dimethylamino)ethyl]-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075704
3-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075626
1-N-(4-methoxyphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077026
3-N-[3-(dimethylamino)propyl]-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075840
1-N-(2-methoxyethyl)-3-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075010

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(dimethylamino)ethyl]-1-N-[4-(dimethylamino)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(dimethylamino)ethyl]-1-N-[4-(dimethylamino)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109075748) is 3-N-[2-(dimethylamino)ethyl]-1-N-[4-(dimethylamino)phenyl]-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-[4-(dimethylamino)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(dimethylamino)ethyl]-1-N-[4-(dimethylamino)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CN(C)CCNC(=O)c1nc(C(=O)Nc2ccc(N(C)C)cc2)c2n1CCCC2.
What is the InChIKey of 3-N-[2-(dimethylamino)ethyl]-1-N-[4-(dimethylamino)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is ALHSCDFSHFRIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-25(2)14-12-22-21(29)19-24-18(17-7-5-6-13-27(17)19)20(28)23-15-8-10-16(11-9-15)26(3)4/h8-11H,5-7,12-14H2,1-4H3,(H,22,29)(H,23,28).
What are the key properties of 3-N-[2-(dimethylamino)ethyl]-1-N-[4-(dimethylamino)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-[2-(dimethylamino)ethyl]-1-N-[4-(dimethylamino)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 398.51 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(dimethylamino)ethyl]-1-N-[4-(dimethylamino)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109075748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).