2-[1-[(2-bromopyridine-4-carbonyl)amino]cyclopentyl]acetic acid

C13H15BrN2O3 — CID 114037372

IUPAC2-[1-[(2-bromopyridine-4-carbonyl)amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccnc(Br)c2)CCCC1
InChIInChI=1S/C13H15BrN2O3/c14-10-7-9(3-6-15-10)12(19)16-13(8-11(17)18)4-1-2-5-13/h3,6-7H,1-2,4-5,8H2,(H,16,19)(H,17,18)
InChIKeyXIGDJYNXCJKARM-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.36
Rot. Bonds4

About 2-[1-[(2-bromopyridine-4-carbonyl)amino]cyclopentyl]acetic acid

2-[1-[(2-bromopyridine-4-carbonyl)amino]cyclopentyl]acetic acid (PubChem CID 114037372) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is 2-[1-[(2-bromopyridine-4-carbonyl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-bromopyridine-4-carbonyl)amino]cyclopentyl]acetic acid
PubChem CID114037372
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name2-[1-[(2-bromopyridine-4-carbonyl)amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccnc(Br)c2)CCCC1
InChIInChI=1S/C13H15BrN2O3/c14-10-7-9(3-6-15-10)12(19)16-13(8-11(17)18)4-1-2-5-13/h3,6-7H,1-2,4-5,8H2,(H,16,19)(H,17,18)
InChIKeyXIGDJYNXCJKARM-UHFFFAOYSA-N
XLogP2.36
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(3,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
CID 114022529
2-[1-[(4-bromo-3-fluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845982
2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide
CID 103752807
2-[1-[(5-bromofuran-3-carbonyl)amino]cyclohexyl]acetic acid
CID 75513389
2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid
CID 64672187
2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79848463
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
2-[1-(1,2-oxazole-3-carbonylamino)cyclohexyl]acetic acid
CID 64672317
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
2-[1-[(3-amino-4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64686291
2-[1-[(3-methylpyridine-2-carbonyl)amino]cyclopentyl]acetic acid
CID 64671017
2-[1-[(2-pyridin-4-ylacetyl)amino]cyclopentyl]acetic acid
CID 64672788

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-bromopyridine-4-carbonyl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(2-bromopyridine-4-carbonyl)amino]cyclopentyl]acetic acid (CID 114037372) is 2-[1-[(2-bromopyridine-4-carbonyl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-bromopyridine-4-carbonyl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(2-bromopyridine-4-carbonyl)amino]cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)c2ccnc(Br)c2)CCCC1.
What is the InChIKey of 2-[1-[(2-bromopyridine-4-carbonyl)amino]cyclopentyl]acetic acid?
The InChIKey is XIGDJYNXCJKARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c14-10-7-9(3-6-15-10)12(19)16-13(8-11(17)18)4-1-2-5-13/h3,6-7H,1-2,4-5,8H2,(H,16,19)(H,17,18).
What are the key properties of 2-[1-[(2-bromopyridine-4-carbonyl)amino]cyclopentyl]acetic acid?
2-[1-[(2-bromopyridine-4-carbonyl)amino]cyclopentyl]acetic acid has a molecular weight of 327.18 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-bromopyridine-4-carbonyl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 114037372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).