6-bromo-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide

C15H16BrN3O — CID 66462506

IUPAC6-bromo-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
SMILESCN(CCNC(=O)c1ccc(Br)nc1)c1ccccc1
InChIInChI=1S/C15H16BrN3O/c1-19(13-5-3-2-4-6-13)10-9-17-15(20)12-7-8-14(16)18-11-12/h2-8,11H,9-10H2,1H3,(H,17,20)
InChIKeyQMSQINGPDSJLSG-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.71
Rot. Bonds5

About 6-bromo-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide

6-bromo-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide (PubChem CID 66462506) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 6-bromo-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
PubChem CID66462506
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name6-bromo-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
SMILESCN(CCNC(=O)c1ccc(Br)nc1)c1ccccc1
InChIInChI=1S/C15H16BrN3O/c1-19(13-5-3-2-4-6-13)10-9-17-15(20)12-7-8-14(16)18-11-12/h2-8,11H,9-10H2,1H3,(H,17,20)
InChIKeyQMSQINGPDSJLSG-UHFFFAOYSA-N
XLogP2.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 66464337
4-bromo-3-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 81295152
N-[3-(N-methylanilino)propyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764046
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 103719046
N-[2-(N-methylanilino)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 24665771
N-[2-(N-methylanilino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24607474
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
5-[(6-bromopyridine-3-carbonyl)amino]pentanoic acid
CID 66463056
4-(difluoromethoxy)-N-[2-(N-methylanilino)ethyl]benzamide
CID 25394977
N-[2-(N-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 25395257

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide (CID 66462506) is 6-bromo-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide is CN(CCNC(=O)c1ccc(Br)nc1)c1ccccc1.
What is the InChIKey of 6-bromo-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide?
The InChIKey is QMSQINGPDSJLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-19(13-5-3-2-4-6-13)10-9-17-15(20)12-7-8-14(16)18-11-12/h2-8,11H,9-10H2,1H3,(H,17,20).
What are the key properties of 6-bromo-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide?
6-bromo-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 66462506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).