5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide

C16H19BrN4O — CID 109185426

IUPAC5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(Nc2cccc(Br)c2)cn1
InChIInChI=1S/C16H19BrN4O/c1-21(2)9-8-18-16(22)15-7-6-14(11-19-15)20-13-5-3-4-12(17)10-13/h3-7,10-11,20H,8-9H2,1-2H3,(H,18,22)
InChIKeyMEJGPMUGAZJUEG-UHFFFAOYSA-N
MW363.26 g/mol
LogP2.88
Rot. Bonds6

About 5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide

5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide (PubChem CID 109185426) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is 5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
PubChem CID109185426
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC Name5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(Nc2cccc(Br)c2)cn1
InChIInChI=1S/C16H19BrN4O/c1-21(2)9-8-18-16(22)15-7-6-14(11-19-15)20-13-5-3-4-12(17)10-13/h3-7,10-11,20H,8-9H2,1-2H3,(H,18,22)
InChIKeyMEJGPMUGAZJUEG-UHFFFAOYSA-N
XLogP2.88
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-5-(3-methoxyanilino)pyridine-2-carboxamide
CID 109185392
5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide
CID 109195790
5-(3-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184344
6-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344377
5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186013
6-(3-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109344991
5-(3-bromoanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109182312
5-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186081
5-(3-bromoanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109198855
ethyl 4-[[6-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109185434
N-[2-(dimethylamino)ethyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109185416
5-(3-bromoanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109198518

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide (CID 109185426) is 5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide is CN(C)CCNC(=O)c1ccc(Nc2cccc(Br)c2)cn1.
What is the InChIKey of 5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
The InChIKey is MEJGPMUGAZJUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-21(2)9-8-18-16(22)15-7-6-14(11-19-15)20-13-5-3-4-12(17)10-13/h3-7,10-11,20H,8-9H2,1-2H3,(H,18,22).
What are the key properties of 5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109185426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).