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

C22H30N4O3 — CID 109075224

IUPAC3-N-(2-ethyl-6-methylphenyl)-1-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)c1nc(C(=O)NCCCOC)c2n1CCCC2
InChIInChI=1S/C22H30N4O3/c1-4-16-10-7-9-15(2)18(16)25-22(28)20-24-19(17-11-5-6-13-26(17)20)21(27)23-12-8-14-29-3/h7,9-10H,4-6,8,11-14H2,1-3H3,(H,23,27)(H,25,28)
InChIKeyDCRWUTLNXNHDDS-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.11
Rot. Bonds8

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

3-N-(2-ethyl-6-methylphenyl)-1-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109075224) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-N-(2-ethyl-6-methylphenyl)-1-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-ethyl-6-methylphenyl)-1-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109075224
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name3-N-(2-ethyl-6-methylphenyl)-1-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)c1nc(C(=O)NCCCOC)c2n1CCCC2
InChIInChI=1S/C22H30N4O3/c1-4-16-10-7-9-15(2)18(16)25-22(28)20-24-19(17-11-5-6-13-26(17)20)21(27)23-12-8-14-29-3/h7,9-10H,4-6,8,11-14H2,1-3H3,(H,23,27)(H,25,28)
InChIKeyDCRWUTLNXNHDDS-UHFFFAOYSA-N
XLogP3.11
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-(2-ethyl-6-methylphenyl)-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077066
3-N-(2-ethyl-6-methylphenyl)-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072184
1-N-(2,6-dimethylphenyl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075123
3-N-(3-methoxypropyl)-1-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075287
3-N-(2,6-diethylphenyl)-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073118
1-N-(2,6-dimethylphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077010
3-N-(2,6-dimethylphenyl)-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073109
1-N-(2-chlorophenyl)-3-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075308
1-N-(2,6-dimethylphenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072643
1-N-pentyl-3-N-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077069
3-N-(2-methoxyethyl)-1-N-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075131
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-ethyl-6-methylphenyl)-1-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-ethyl-6-methylphenyl)-1-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109075224) is 3-N-(2-ethyl-6-methylphenyl)-1-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-ethyl-6-methylphenyl)-1-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-ethyl-6-methylphenyl)-1-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCc1cccc(C)c1NC(=O)c1nc(C(=O)NCCCOC)c2n1CCCC2.
What is the InChIKey of 3-N-(2-ethyl-6-methylphenyl)-1-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is DCRWUTLNXNHDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-4-16-10-7-9-15(2)18(16)25-22(28)20-24-19(17-11-5-6-13-26(17)20)21(27)23-12-8-14-29-3/h7,9-10H,4-6,8,11-14H2,1-3H3,(H,23,27)(H,25,28).
What are the key properties of 3-N-(2-ethyl-6-methylphenyl)-1-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(2-ethyl-6-methylphenyl)-1-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 398.51 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-ethyl-6-methylphenyl)-1-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109075224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).