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5-methyl-1-N,3-N-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)benzene-1,3-dicarboxamide

C25H30N6O2 — CID 166225501

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-methyl-1-N,3-N-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
SMILESCc1cc(C(=O)NCc2cnc3n2CCCC3)cc(C(=O)NCc2cnc3n2CCCC3)c1
InChIInChI=1S/C25H30N6O2/c1-17-10-18(24(32)28-15-20-13-26-22-6-2-4-8-30(20)22)12-19(11-17)25(33)29-16-21-14-27-23-7-3-5-9-31(21)23/h10-14H,2-9,15-16H2,1H3,(H,28,32)(H,29,33)
InChIKeyQPUCDANFCAGVED-UHFFFAOYSA-N
MW446.56 g/mol
LogP2.92
Rot. Bonds6

About 5-methyl-1-N,3-N-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)benzene-1,3-dicarboxamide

5-methyl-1-N,3-N-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)benzene-1,3-dicarboxamide (PubChem CID 166225501) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 5-methyl-1-N,3-N-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-methyl-1-N,3-N-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
PubChem CID166225501
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name5-methyl-1-N,3-N-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
SMILESCc1cc(C(=O)NCc2cnc3n2CCCC3)cc(C(=O)NCc2cnc3n2CCCC3)c1
InChIInChI=1S/C25H30N6O2/c1-17-10-18(24(32)28-15-20-13-26-22-6-2-4-8-30(20)22)12-19(11-17)25(33)29-16-21-14-27-23-7-3-5-9-31(21)23/h10-14H,2-9,15-16H2,1H3,(H,28,32)(H,29,33)
InChIKeyQPUCDANFCAGVED-UHFFFAOYSA-N
XLogP2.92
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-N,3-N-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 5-methyl-1-N,3-N-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)benzene-1,3-dicarboxamide (CID 166225501) is 5-methyl-1-N,3-N-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-methyl-1-N,3-N-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 5-methyl-1-N,3-N-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)benzene-1,3-dicarboxamide is Cc1cc(C(=O)NCc2cnc3n2CCCC3)cc(C(=O)NCc2cnc3n2CCCC3)c1.
What is the InChIKey of 5-methyl-1-N,3-N-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)benzene-1,3-dicarboxamide?
The InChIKey is QPUCDANFCAGVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-17-10-18(24(32)28-15-20-13-26-22-6-2-4-8-30(20)22)12-19(11-17)25(33)29-16-21-14-27-23-7-3-5-9-31(21)23/h10-14H,2-9,15-16H2,1H3,(H,28,32)(H,29,33).
What are the key properties of 5-methyl-1-N,3-N-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)benzene-1,3-dicarboxamide?
5-methyl-1-N,3-N-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)benzene-1,3-dicarboxamide has a molecular weight of 446.56 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-N,3-N-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 166225501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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