1-N-methyl-3-N-(2-methylpropyl)-1-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H29N5O2 — CID 109073751

IUPAC1-N-methyl-3-N-(2-methylpropyl)-1-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)CNC(=O)c1nc(C(=O)N(C)CCc2ccncc2)c2n1CCCC2
InChIInChI=1S/C21H29N5O2/c1-15(2)14-23-20(27)19-24-18(17-6-4-5-12-26(17)19)21(28)25(3)13-9-16-7-10-22-11-8-16/h7-8,10-11,15H,4-6,9,12-14H2,1-3H3,(H,23,27)
InChIKeyCNEAMJXKWOXHGF-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.31
Rot. Bonds7

About 1-N-methyl-3-N-(2-methylpropyl)-1-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-methyl-3-N-(2-methylpropyl)-1-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109073751) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-N-methyl-3-N-(2-methylpropyl)-1-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-methyl-3-N-(2-methylpropyl)-1-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109073751
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name1-N-methyl-3-N-(2-methylpropyl)-1-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)CNC(=O)c1nc(C(=O)N(C)CCc2ccncc2)c2n1CCCC2
InChIInChI=1S/C21H29N5O2/c1-15(2)14-23-20(27)19-24-18(17-6-4-5-12-26(17)19)21(28)25(3)13-9-16-7-10-22-11-8-16/h7-8,10-11,15H,4-6,9,12-14H2,1-3H3,(H,23,27)
InChIKeyCNEAMJXKWOXHGF-UHFFFAOYSA-N
XLogP2.31
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-3-N-(2-methylpropyl)-1-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-methyl-3-N-(2-methylpropyl)-1-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109073751) is 1-N-methyl-3-N-(2-methylpropyl)-1-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-methyl-3-N-(2-methylpropyl)-1-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-methyl-3-N-(2-methylpropyl)-1-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CC(C)CNC(=O)c1nc(C(=O)N(C)CCc2ccncc2)c2n1CCCC2.
What is the InChIKey of 1-N-methyl-3-N-(2-methylpropyl)-1-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is CNEAMJXKWOXHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-15(2)14-23-20(27)19-24-18(17-6-4-5-12-26(17)19)21(28)25(3)13-9-16-7-10-22-11-8-16/h7-8,10-11,15H,4-6,9,12-14H2,1-3H3,(H,23,27).
What are the key properties of 1-N-methyl-3-N-(2-methylpropyl)-1-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-methyl-3-N-(2-methylpropyl)-1-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-3-N-(2-methylpropyl)-1-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109073751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).