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

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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Related Compounds

2-chloro-2-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)acetamide
CID 167792308
1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propan-2-one
CID 83827932
N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-1-methyl-3-phenylpyrazole-5-carboxamide
CID 166269576
2-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 162365606
N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 154870040
N-[3-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethylamino)methyl]phenyl]acetamide
CID 166248325
(5R,7S)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093574
N-[2-oxo-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylamino)ethyl]benzamide
CID 56753801
N-[[4-(methoxymethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 136517116
8-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-ylmethylamino)quinoline-6-carboxylic acid
CID 166267732
3,5-diacetamido-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)benzamide
CID 24676695
1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide
CID 166257062

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).