6-bromo-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C18H18BrN5O — CID 171988440

IUPAC6-bromo-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C18H18BrN5O/c1-12-17(24-11-14(19)6-9-16(24)21-12)18(25)22-20-10-13-4-7-15(8-5-13)23(2)3/h4-11H,1-3H3,(H,22,25)/b20-10+
InChIKeyBFSPTUCEMXSSPY-KEBDBYFISA-N
MW400.28 g/mol
LogP3.24
Rot. Bonds4

About 6-bromo-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

6-bromo-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 171988440) has the molecular formula C18H18BrN5O and a molecular weight of 400.28 g/mol. Its IUPAC name is 6-bromo-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID171988440
Molecular FormulaC18H18BrN5O
Molecular Weight400.28 g/mol
Exact Mass399.07
IUPAC Name6-bromo-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C18H18BrN5O/c1-12-17(24-11-14(19)6-9-16(24)21-12)18(25)22-20-10-13-4-7-15(8-5-13)23(2)3/h4-11H,1-3H3,(H,22,25)/b20-10+
InChIKeyBFSPTUCEMXSSPY-KEBDBYFISA-N
XLogP3.24
TPSA62.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 5497455
6-bromo-2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
CID 126018157
6-bromo-N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 124539662
4-[[(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 75137265
N-[(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 75137621
N-[(Z)-(3-chlorophenyl)methylideneamino]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 5416113
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 126009610
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 5443006
N-[(4-bromophenyl)methylideneamino]-4-chloro-1,3-dimethylpyrazole-5-carboxamide
CID 1003079
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6868994
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 126009877

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 171988440) is 6-bromo-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1ccc(N(C)C)cc1.
What is the InChIKey of 6-bromo-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BFSPTUCEMXSSPY-KEBDBYFISA-N. The full InChI is InChI=1S/C18H18BrN5O/c1-12-17(24-11-14(19)6-9-16(24)21-12)18(25)22-20-10-13-4-7-15(8-5-13)23(2)3/h4-11H,1-3H3,(H,22,25)/b20-10+.
What are the key properties of 6-bromo-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
6-bromo-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 400.28 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 171988440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).