N-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide

C14H12BrN3O2 — CID 110705521

IUPACN-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide
SMILESO=C(CNC(=O)c1cccnc1)Nc1cccc(Br)c1
InChIInChI=1S/C14H12BrN3O2/c15-11-4-1-5-12(7-11)18-13(19)9-17-14(20)10-3-2-6-16-8-10/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyOCOLJTDWSKHTIJ-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.21
Rot. Bonds4

About N-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide

N-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 110705521) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is N-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide
PubChem CID110705521
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC NameN-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide
SMILESO=C(CNC(=O)c1cccnc1)Nc1cccc(Br)c1
InChIInChI=1S/C14H12BrN3O2/c15-11-4-1-5-12(7-11)18-13(19)9-17-14(20)10-3-2-6-16-8-10/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyOCOLJTDWSKHTIJ-UHFFFAOYSA-N
XLogP2.21
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705505
N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705464
[2-(3-bromoanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413271
N-[3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55633445
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 84505135
N-[[4-[3-(3-bromophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925744
4-bromo-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide
CID 35151089
N-(2-hydrazinyl-2-oxoethyl)pyridine-3-carboxamide
CID 39070404
3-nitro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide
CID 26591854
N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 78863694
3,4-dichloro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide
CID 26592239
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide (CID 110705521) is N-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide is O=C(CNC(=O)c1cccnc1)Nc1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is OCOLJTDWSKHTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c15-11-4-1-5-12(7-11)18-13(19)9-17-14(20)10-3-2-6-16-8-10/h1-8H,9H2,(H,17,20)(H,18,19).
What are the key properties of N-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide?
N-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 334.17 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 110705521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).