N-[2-(2-amino-2-oxoethyl)phenyl]-5-bromopyridine-3-carboxamide

C14H12BrN3O2 — CID 47166830

IUPACN-[2-(2-amino-2-oxoethyl)phenyl]-5-bromopyridine-3-carboxamide
SMILESNC(=O)Cc1ccccc1NC(=O)c1cncc(Br)c1
InChIInChI=1S/C14H12BrN3O2/c15-11-5-10(7-17-8-11)14(20)18-12-4-2-1-3-9(12)6-13(16)19/h1-5,7-8H,6H2,(H2,16,19)(H,18,20)
InChIKeyVWQLEXVACDBXII-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.12
Rot. Bonds4

About N-[2-(2-amino-2-oxoethyl)phenyl]-5-bromopyridine-3-carboxamide

N-[2-(2-amino-2-oxoethyl)phenyl]-5-bromopyridine-3-carboxamide (PubChem CID 47166830) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)phenyl]-5-bromopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)phenyl]-5-bromopyridine-3-carboxamide
PubChem CID47166830
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC NameN-[2-(2-amino-2-oxoethyl)phenyl]-5-bromopyridine-3-carboxamide
SMILESNC(=O)Cc1ccccc1NC(=O)c1cncc(Br)c1
InChIInChI=1S/C14H12BrN3O2/c15-11-5-10(7-17-8-11)14(20)18-12-4-2-1-3-9(12)6-13(16)19/h1-5,7-8H,6H2,(H2,16,19)(H,18,20)
InChIKeyVWQLEXVACDBXII-UHFFFAOYSA-N
XLogP2.12
TPSA85.08 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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromopyridine-3-carbonyl)amino]benzoic acid
CID 805036
2-[2-[(5-hydroxypyridine-3-carbonyl)amino]phenyl]acetic acid
CID 63849973
N-[2-(aminomethyl)phenyl]-5-hydroxypyridine-3-carboxamide
CID 64895437
4-amino-N-[2-(2-amino-2-oxoethyl)phenyl]benzamide
CID 43697115
5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 33152161
5-hydroxy-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 55258131
5-bromo-N-(3-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 9145915
5-N-tert-butyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109106923
N-[2-(2-amino-2-oxoethyl)phenyl]-2-fluoropyridine-4-carboxamide
CID 61295295
N-[2-(2-amino-2-oxoethyl)phenyl]-3-bromo-4-methoxybenzamide
CID 47037283
2-[2-[(3-bromobenzoyl)amino]phenyl]acetic acid
CID 62537049
N'-benzoyl-5-bromopyridine-3-carbohydrazide
CID 40613239

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]-5-bromopyridine-3-carboxamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]-5-bromopyridine-3-carboxamide (CID 47166830) is N-[2-(2-amino-2-oxoethyl)phenyl]-5-bromopyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)phenyl]-5-bromopyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)phenyl]-5-bromopyridine-3-carboxamide is NC(=O)Cc1ccccc1NC(=O)c1cncc(Br)c1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)phenyl]-5-bromopyridine-3-carboxamide?
The InChIKey is VWQLEXVACDBXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c15-11-5-10(7-17-8-11)14(20)18-12-4-2-1-3-9(12)6-13(16)19/h1-5,7-8H,6H2,(H2,16,19)(H,18,20).
What are the key properties of N-[2-(2-amino-2-oxoethyl)phenyl]-5-bromopyridine-3-carboxamide?
N-[2-(2-amino-2-oxoethyl)phenyl]-5-bromopyridine-3-carboxamide has a molecular weight of 334.17 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)phenyl]-5-bromopyridine-3-carboxamide is sourced from PubChem (CID 47166830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).