N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide

C15H14BrN3O2 — CID 24684680

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)c1ccncc1
InChIInChI=1S/C15H14BrN3O2/c1-19(15(21)11-6-8-17-9-7-11)10-14(20)18-13-5-3-2-4-12(13)16/h2-9H,10H2,1H3,(H,18,20)
InChIKeyIMZYUYOLJZBZER-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.55
Rot. Bonds4

About N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide

N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide (PubChem CID 24684680) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
PubChem CID24684680
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)c1ccncc1
InChIInChI=1S/C15H14BrN3O2/c1-19(15(21)11-6-8-17-9-7-11)10-14(20)18-13-5-3-2-4-12(13)16/h2-9H,10H2,1H3,(H,18,20)
InChIKeyIMZYUYOLJZBZER-UHFFFAOYSA-N
XLogP2.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide (CID 24684680) is N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide is CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccncc1.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The InChIKey is IMZYUYOLJZBZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-19(15(21)11-6-8-17-9-7-11)10-14(20)18-13-5-3-2-4-12(13)16/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide has a molecular weight of 348.20 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 24684680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).