2-[(5-bromopyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid

C14H12BrN3O3 — CID 166373485

IUPAC2-[(5-bromopyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid
SMILESO=C(NC(Cc1ccncc1)C(=O)O)c1ccc(Br)cn1
InChIInChI=1S/C14H12BrN3O3/c15-10-1-2-11(17-8-10)13(19)18-12(14(20)21)7-9-3-5-16-6-4-9/h1-6,8,12H,7H2,(H,18,19)(H,20,21)
InChIKeyZDHRDAATAPEAIK-UHFFFAOYSA-N
MW350.17 g/mol
LogP1.66
Rot. Bonds5

About 2-[(5-bromopyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid

2-[(5-bromopyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid (PubChem CID 166373485) has the molecular formula C14H12BrN3O3 and a molecular weight of 350.17 g/mol. Its IUPAC name is 2-[(5-bromopyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-[(5-bromopyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid
PubChem CID166373485
Molecular FormulaC14H12BrN3O3
Molecular Weight350.17 g/mol
Exact Mass349.01
IUPAC Name2-[(5-bromopyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid
SMILESO=C(NC(Cc1ccncc1)C(=O)O)c1ccc(Br)cn1
InChIInChI=1S/C14H12BrN3O3/c15-10-1-2-11(17-8-10)13(19)18-12(14(20)21)7-9-3-5-16-6-4-9/h1-6,8,12H,7H2,(H,18,19)(H,20,21)
InChIKeyZDHRDAATAPEAIK-UHFFFAOYSA-N
XLogP1.66
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 62958073
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 94903176
(2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid
CID 107562920
(2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid
CID 62959310
2-[(5-bromopyridine-2-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 62960210
2-benzamido-3-pyridin-4-ylpropanoic acid
CID 19602413
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide
CID 62953884
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 55154383
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
methyl 2-[(5-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoate
CID 62959389
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 103804582
3-phenyl-2-[(2-pyridin-4-ylacetyl)amino]propanoic acid
CID 16785065

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromopyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid?
The IUPAC name of 2-[(5-bromopyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid (CID 166373485) is 2-[(5-bromopyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 2-[(5-bromopyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid?
The canonical SMILES for 2-[(5-bromopyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid is O=C(NC(Cc1ccncc1)C(=O)O)c1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromopyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid?
The InChIKey is ZDHRDAATAPEAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3/c15-10-1-2-11(17-8-10)13(19)18-12(14(20)21)7-9-3-5-16-6-4-9/h1-6,8,12H,7H2,(H,18,19)(H,20,21).
What are the key properties of 2-[(5-bromopyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid?
2-[(5-bromopyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid has a molecular weight of 350.17 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromopyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 166373485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).