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

C20H27N5O2 — CID 109072454

IUPAC3-N-methyl-1-N-propan-2-yl-3-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)NC(=O)c1nc(C(=O)N(C)CCc2ccncc2)n2c1CCCC2
InChIInChI=1S/C20H27N5O2/c1-14(2)22-19(26)17-16-6-4-5-12-25(16)18(23-17)20(27)24(3)13-9-15-7-10-21-11-8-15/h7-8,10-11,14H,4-6,9,12-13H2,1-3H3,(H,22,26)
InChIKeyVNXODTGTPARAPR-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.07
Rot. Bonds6

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

3-N-methyl-1-N-propan-2-yl-3-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109072454) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-N-methyl-1-N-propan-2-yl-3-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-1-N-propan-2-yl-3-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109072454
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name3-N-methyl-1-N-propan-2-yl-3-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)NC(=O)c1nc(C(=O)N(C)CCc2ccncc2)n2c1CCCC2
InChIInChI=1S/C20H27N5O2/c1-14(2)22-19(26)17-16-6-4-5-12-25(16)18(23-17)20(27)24(3)13-9-15-7-10-21-11-8-15/h7-8,10-11,14H,4-6,9,12-13H2,1-3H3,(H,22,26)
InChIKeyVNXODTGTPARAPR-UHFFFAOYSA-N
XLogP2.07
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-N-methyl-1-N-propan-2-yl-3-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-1-N-propan-2-yl-3-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-methyl-1-N-propan-2-yl-3-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109072454) is 3-N-methyl-1-N-propan-2-yl-3-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-methyl-1-N-propan-2-yl-3-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-methyl-1-N-propan-2-yl-3-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CC(C)NC(=O)c1nc(C(=O)N(C)CCc2ccncc2)n2c1CCCC2.
What is the InChIKey of 3-N-methyl-1-N-propan-2-yl-3-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is VNXODTGTPARAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14(2)22-19(26)17-16-6-4-5-12-25(16)18(23-17)20(27)24(3)13-9-15-7-10-21-11-8-15/h7-8,10-11,14H,4-6,9,12-13H2,1-3H3,(H,22,26).
What are the key properties of 3-N-methyl-1-N-propan-2-yl-3-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-methyl-1-N-propan-2-yl-3-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-1-N-propan-2-yl-3-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109072454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).