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

C22H30N4O3 — CID 109073626

IUPAC3-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOc1cccc(CCNC(=O)c2nc(C(=O)NCC(C)C)c3n2CCCC3)c1
InChIInChI=1S/C22H30N4O3/c1-15(2)14-24-21(27)19-18-9-4-5-12-26(18)20(25-19)22(28)23-11-10-16-7-6-8-17(13-16)29-3/h6-8,13,15H,4-5,9-12,14H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyYTSCJJALGJMOIS-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.59
Rot. Bonds8

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

3-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109073626) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109073626
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name3-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOc1cccc(CCNC(=O)c2nc(C(=O)NCC(C)C)c3n2CCCC3)c1
InChIInChI=1S/C22H30N4O3/c1-15(2)14-24-21(27)19-18-9-4-5-12-26(18)20(25-19)22(28)23-11-10-16-7-6-8-17(13-16)29-3/h6-8,13,15H,4-5,9-12,14H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyYTSCJJALGJMOIS-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[2-(2-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073625
1-N-(3-methoxyphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077025
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073379
1-N-(3-methylbutyl)-3-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073760
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067549
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073714
3-N-(3-methoxyphenyl)-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072516
3-N-[(4-methylphenyl)methyl]-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073607
methyl 2-[[1-(2-methylpropylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carbonyl]amino]benzoate
CID 109073690
1-N-(3-chloro-2-methylphenyl)-3-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073796
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)acetamide
CID 108993195
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109361970

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109073626) is 3-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is COc1cccc(CCNC(=O)c2nc(C(=O)NCC(C)C)c3n2CCCC3)c1.
What is the InChIKey of 3-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is YTSCJJALGJMOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-15(2)14-24-21(27)19-18-9-4-5-12-26(18)20(25-19)22(28)23-11-10-16-7-6-8-17(13-16)29-3/h6-8,13,15H,4-5,9-12,14H2,1-3H3,(H,23,28)(H,24,27).
What are the key properties of 3-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 398.51 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109073626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).