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

C20H25ClN4O2 — CID 109076721

IUPAC1-N-(3-chloro-2-methylphenyl)-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1nc(C(=O)Nc2cccc(Cl)c2C)c2n1CCCC2
InChIInChI=1S/C20H25ClN4O2/c1-4-24(5-2)20(27)18-23-17(16-11-6-7-12-25(16)18)19(26)22-15-10-8-9-14(21)13(15)3/h8-10H,4-7,11-12H2,1-3H3,(H,22,26)
InChIKeyZSWHMQRIIIHOIE-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.92
Rot. Bonds5

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

1-N-(3-chloro-2-methylphenyl)-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109076721) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 1-N-(3-chloro-2-methylphenyl)-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chloro-2-methylphenyl)-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109076721
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name1-N-(3-chloro-2-methylphenyl)-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1nc(C(=O)Nc2cccc(Cl)c2C)c2n1CCCC2
InChIInChI=1S/C20H25ClN4O2/c1-4-24(5-2)20(27)18-23-17(16-11-6-7-12-25(16)18)19(26)22-15-10-8-9-14(21)13(15)3/h8-10H,4-7,11-12H2,1-3H3,(H,22,26)
InChIKeyZSWHMQRIIIHOIE-UHFFFAOYSA-N
XLogP3.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(3-chloro-2-methylphenyl)-3-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073796
1-N-(4-chloro-2-methylphenyl)-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076723
3-N,3-N-diethyl-1-N-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076716
1-N-(2,5-dimethylphenyl)-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076700
3-N,3-N-diethyl-1-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076694
1-N-benzyl-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076179
methyl 3-[[3-(diethylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109076739
2-N-(3-chloro-2-methylphenyl)-6-N,6-N-diethylpyridine-2,6-dicarboxamide
CID 109098998
3-(azepane-1-carbonyl)-N-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109077413
1-N-(2-chlorophenyl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075138
1-N-(2-chlorophenyl)-3-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075308
3-N-(2-chlorophenyl)-1-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077444

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-2-methylphenyl)-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-chloro-2-methylphenyl)-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109076721) is 1-N-(3-chloro-2-methylphenyl)-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-chloro-2-methylphenyl)-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-chloro-2-methylphenyl)-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCN(CC)C(=O)c1nc(C(=O)Nc2cccc(Cl)c2C)c2n1CCCC2.
What is the InChIKey of 1-N-(3-chloro-2-methylphenyl)-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is ZSWHMQRIIIHOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-4-24(5-2)20(27)18-23-17(16-11-6-7-12-25(16)18)19(26)22-15-10-8-9-14(21)13(15)3/h8-10H,4-7,11-12H2,1-3H3,(H,22,26).
What are the key properties of 1-N-(3-chloro-2-methylphenyl)-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(3-chloro-2-methylphenyl)-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 388.90 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-2-methylphenyl)-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109076721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).