N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(dimethylamino)pyridine-4-carboxamide

C16H16BrN5O — CID 47067647

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(dimethylamino)pyridine-4-carboxamide
SMILESCN(C)c1cc(C(=O)NCc2cn3cc(Br)ccc3n2)ccn1
InChIInChI=1S/C16H16BrN5O/c1-21(2)15-7-11(5-6-18-15)16(23)19-8-13-10-22-9-12(17)3-4-14(22)20-13/h3-7,9-10H,8H2,1-2H3,(H,19,23)
InChIKeyJPPZUBJSSAMQDL-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.49
Rot. Bonds4

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(dimethylamino)pyridine-4-carboxamide

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(dimethylamino)pyridine-4-carboxamide (PubChem CID 47067647) has the molecular formula C16H16BrN5O and a molecular weight of 374.24 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(dimethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(dimethylamino)pyridine-4-carboxamide
PubChem CID47067647
Molecular FormulaC16H16BrN5O
Molecular Weight374.24 g/mol
Exact Mass373.05
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(dimethylamino)pyridine-4-carboxamide
SMILESCN(C)c1cc(C(=O)NCc2cn3cc(Br)ccc3n2)ccn1
InChIInChI=1S/C16H16BrN5O/c1-21(2)15-7-11(5-6-18-15)16(23)19-8-13-10-22-9-12(17)3-4-14(22)20-13/h3-7,9-10H,8H2,1-2H3,(H,19,23)
InChIKeyJPPZUBJSSAMQDL-UHFFFAOYSA-N
XLogP2.49
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(dimethylamino)pyridine-4-carboxamide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(dimethylamino)pyridine-4-carboxamide (CID 47067647) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(dimethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(dimethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(dimethylamino)pyridine-4-carboxamide is CN(C)c1cc(C(=O)NCc2cn3cc(Br)ccc3n2)ccn1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(dimethylamino)pyridine-4-carboxamide?
The InChIKey is JPPZUBJSSAMQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5O/c1-21(2)15-7-11(5-6-18-15)16(23)19-8-13-10-22-9-12(17)3-4-14(22)20-13/h3-7,9-10H,8H2,1-2H3,(H,19,23).
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(dimethylamino)pyridine-4-carboxamide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(dimethylamino)pyridine-4-carboxamide has a molecular weight of 374.24 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(dimethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 47067647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).