5-(3-bromoanilino)-N-ethyl-N-phenylpyridine-2-carboxamide

C20H18BrN3O — CID 109198518

IUPAC5-(3-bromoanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(Nc2cccc(Br)c2)cn1)c1ccccc1
InChIInChI=1S/C20H18BrN3O/c1-2-24(18-9-4-3-5-10-18)20(25)19-12-11-17(14-22-19)23-16-8-6-7-15(21)13-16/h3-14,23H,2H2,1H3
InChIKeyPWHLWBKHQVKENS-UHFFFAOYSA-N
MW396.29 g/mol
LogP5.25
Rot. Bonds5

About 5-(3-bromoanilino)-N-ethyl-N-phenylpyridine-2-carboxamide

5-(3-bromoanilino)-N-ethyl-N-phenylpyridine-2-carboxamide (PubChem CID 109198518) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is 5-(3-bromoanilino)-N-ethyl-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-bromoanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
PubChem CID109198518
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC Name5-(3-bromoanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(Nc2cccc(Br)c2)cn1)c1ccccc1
InChIInChI=1S/C20H18BrN3O/c1-2-24(18-9-4-3-5-10-18)20(25)19-12-11-17(14-22-19)23-16-8-6-7-15(21)13-16/h3-14,23H,2H2,1H3
InChIKeyPWHLWBKHQVKENS-UHFFFAOYSA-N
XLogP5.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.29
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109198506
5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109198507
5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109188045
4-anilino-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109218846
N-ethyl-N-phenyl-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109189023
N-ethyl-5-(pentylamino)-N-phenylpyridine-2-carboxamide
CID 109195842
5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide
CID 109195790
5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109185426
5-(cycloheptylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109195372
N-ethyl-5-(3-fluoroanilino)-N-phenylpyrazine-2-carboxamide
CID 109291751
N-ethyl-5-(3-methylanilino)-N-phenylpyridine-3-carboxamide
CID 109241929
5-(3-bromoanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109188944

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromoanilino)-N-ethyl-N-phenylpyridine-2-carboxamide?
The IUPAC name of 5-(3-bromoanilino)-N-ethyl-N-phenylpyridine-2-carboxamide (CID 109198518) is 5-(3-bromoanilino)-N-ethyl-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3-bromoanilino)-N-ethyl-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 5-(3-bromoanilino)-N-ethyl-N-phenylpyridine-2-carboxamide is CCN(C(=O)c1ccc(Nc2cccc(Br)c2)cn1)c1ccccc1.
What is the InChIKey of 5-(3-bromoanilino)-N-ethyl-N-phenylpyridine-2-carboxamide?
The InChIKey is PWHLWBKHQVKENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-2-24(18-9-4-3-5-10-18)20(25)19-12-11-17(14-22-19)23-16-8-6-7-15(21)13-16/h3-14,23H,2H2,1H3.
What are the key properties of 5-(3-bromoanilino)-N-ethyl-N-phenylpyridine-2-carboxamide?
5-(3-bromoanilino)-N-ethyl-N-phenylpyridine-2-carboxamide has a molecular weight of 396.29 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromoanilino)-N-ethyl-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 109198518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).