N-(3-amino-3-oxopropyl)-6-bromopyridine-3-carboxamide

C9H10BrN3O2 — CID 66463277

IUPACN-(3-amino-3-oxopropyl)-6-bromopyridine-3-carboxamide
SMILESNC(=O)CCNC(=O)c1ccc(Br)nc1
InChIInChI=1S/C9H10BrN3O2/c10-7-2-1-6(5-13-7)9(15)12-4-3-8(11)14/h1-2,5H,3-4H2,(H2,11,14)(H,12,15)
InChIKeyZPNVIFPWTOZEGL-UHFFFAOYSA-N
MW272.10 g/mol
LogP0.45
Rot. Bonds4

About N-(3-amino-3-oxopropyl)-6-bromopyridine-3-carboxamide

N-(3-amino-3-oxopropyl)-6-bromopyridine-3-carboxamide (PubChem CID 66463277) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-6-bromopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-6-bromopyridine-3-carboxamide
PubChem CID66463277
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC NameN-(3-amino-3-oxopropyl)-6-bromopyridine-3-carboxamide
SMILESNC(=O)CCNC(=O)c1ccc(Br)nc1
InChIInChI=1S/C9H10BrN3O2/c10-7-2-1-6(5-13-7)9(15)12-4-3-8(11)14/h1-2,5H,3-4H2,(H2,11,14)(H,12,15)
InChIKeyZPNVIFPWTOZEGL-UHFFFAOYSA-N
XLogP0.45
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 50.45
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

5-[(6-bromopyridine-3-carbonyl)amino]pentanoic acid
CID 66463056
6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 66465126
N-(3-amino-2-hydroxy-3-oxopropyl)-6-bromopyridine-3-carboxamide
CID 106165096
6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 79420880
6-amino-N-(5-amino-5-oxopentyl)pyridine-3-carboxamide
CID 114162800
[3-(6-bromo-3-pyridinyl)-3-oxopropyl]carbamic acid
CID 22489148
4-[(3-amino-3-oxopropyl)carbamoyl]benzoic acid
CID 43553914
6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 66462176
6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 66464337
6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
CID 66462180
N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide
CID 91636090
6-bromo-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
CID 115670742

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-6-bromopyridine-3-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-6-bromopyridine-3-carboxamide (CID 66463277) is N-(3-amino-3-oxopropyl)-6-bromopyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-6-bromopyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-6-bromopyridine-3-carboxamide is NC(=O)CCNC(=O)c1ccc(Br)nc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-6-bromopyridine-3-carboxamide?
The InChIKey is ZPNVIFPWTOZEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c10-7-2-1-6(5-13-7)9(15)12-4-3-8(11)14/h1-2,5H,3-4H2,(H2,11,14)(H,12,15).
What are the key properties of N-(3-amino-3-oxopropyl)-6-bromopyridine-3-carboxamide?
N-(3-amino-3-oxopropyl)-6-bromopyridine-3-carboxamide has a molecular weight of 272.10 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-6-bromopyridine-3-carboxamide is sourced from PubChem (CID 66463277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).