5-bromo-4-methyl-N-[(6-methyl-7,8-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]pyridine-3-carboxamide;ethane

C18H23BrN4O — CID 168970876

IUPAC5-bromo-4-methyl-N-[(6-methyl-7,8-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]pyridine-3-carboxamide;ethane
SMILESCC.CC1=Cn2cc(CNC(=O)c3cncc(Br)c3C)nc2CC1
InChIInChI=1S/C16H17BrN4O.C2H6/c1-10-3-4-15-20-12(9-21(15)8-10)5-19-16(22)13-6-18-7-14(17)11(13)2;1-2/h6-9H,3-5H2,1-2H3,(H,19,22);1-2H3
InChIKeyYTBQKDCIZFFPRY-UHFFFAOYSA-N
MW391.31 g/mol
LogP4.11
Rot. Bonds3

About 5-bromo-4-methyl-N-[(6-methyl-7,8-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]pyridine-3-carboxamide;ethane

5-bromo-4-methyl-N-[(6-methyl-7,8-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]pyridine-3-carboxamide;ethane (PubChem CID 168970876) has the molecular formula C18H23BrN4O and a molecular weight of 391.31 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[(6-methyl-7,8-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]pyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[(6-methyl-7,8-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]pyridine-3-carboxamide;ethane
PubChem CID168970876
Molecular FormulaC18H23BrN4O
Molecular Weight391.31 g/mol
Exact Mass390.11
IUPAC Name5-bromo-4-methyl-N-[(6-methyl-7,8-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]pyridine-3-carboxamide;ethane
SMILESCC.CC1=Cn2cc(CNC(=O)c3cncc(Br)c3C)nc2CC1
InChIInChI=1S/C16H17BrN4O.C2H6/c1-10-3-4-15-20-12(9-21(15)8-10)5-19-16(22)13-6-18-7-14(17)11(13)2;1-2/h6-9H,3-5H2,1-2H3,(H,19,22);1-2H3
InChIKeyYTBQKDCIZFFPRY-UHFFFAOYSA-N
XLogP4.11
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[(6-methyl-7,8-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]pyridine-3-carboxamide;ethane?
The IUPAC name of 5-bromo-4-methyl-N-[(6-methyl-7,8-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]pyridine-3-carboxamide;ethane (CID 168970876) is 5-bromo-4-methyl-N-[(6-methyl-7,8-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]pyridine-3-carboxamide;ethane.
What is the SMILES notation for 5-bromo-4-methyl-N-[(6-methyl-7,8-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]pyridine-3-carboxamide;ethane?
The canonical SMILES for 5-bromo-4-methyl-N-[(6-methyl-7,8-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]pyridine-3-carboxamide;ethane is CC.CC1=Cn2cc(CNC(=O)c3cncc(Br)c3C)nc2CC1.
What is the InChIKey of 5-bromo-4-methyl-N-[(6-methyl-7,8-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]pyridine-3-carboxamide;ethane?
The InChIKey is YTBQKDCIZFFPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O.C2H6/c1-10-3-4-15-20-12(9-21(15)8-10)5-19-16(22)13-6-18-7-14(17)11(13)2;1-2/h6-9H,3-5H2,1-2H3,(H,19,22);1-2H3.
What are the key properties of 5-bromo-4-methyl-N-[(6-methyl-7,8-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]pyridine-3-carboxamide;ethane?
5-bromo-4-methyl-N-[(6-methyl-7,8-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]pyridine-3-carboxamide;ethane has a molecular weight of 391.31 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[(6-methyl-7,8-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]pyridine-3-carboxamide;ethane is sourced from PubChem (CID 168970876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).