2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide

C9H11BrN4O2 — CID 103755430

IUPAC2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide
SMILESNC(=O)NCCNC(=O)c1ccnc(Br)c1
InChIInChI=1S/C9H11BrN4O2/c10-7-5-6(1-2-12-7)8(15)13-3-4-14-9(11)16/h1-2,5H,3-4H2,(H,13,15)(H3,11,14,16)
InChIKeyOJPXYQJYCBJWND-UHFFFAOYSA-N
MW287.12 g/mol
LogP0.24
Rot. Bonds4

About 2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide

2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide (PubChem CID 103755430) has the molecular formula C9H11BrN4O2 and a molecular weight of 287.12 g/mol. Its IUPAC name is 2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide
PubChem CID103755430
Molecular FormulaC9H11BrN4O2
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide
SMILESNC(=O)NCCNC(=O)c1ccnc(Br)c1
InChIInChI=1S/C9H11BrN4O2/c10-7-5-6(1-2-12-7)8(15)13-3-4-14-9(11)16/h1-2,5H,3-4H2,(H,13,15)(H3,11,14,16)
InChIKeyOJPXYQJYCBJWND-UHFFFAOYSA-N
XLogP0.24
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 103754460
N-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 83115078
N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromopyridine-4-carboxamide
CID 106164264
2-bromo-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 103752757
2-bromo-N-hexylpyridine-4-carboxamide
CID 103752172
methyl 4-[(2-bromopyridine-4-carbonyl)amino]butanoate
CID 103752037
2-bromo-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide
CID 103755357
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide
CID 103752137
2-bromo-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 103752224
2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide
CID 103752807
2-bromo-N-(2-but-3-enoxyethyl)pyridine-4-carboxamide
CID 103855736
2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104693681

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide (CID 103755430) is 2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide is NC(=O)NCCNC(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide?
The InChIKey is OJPXYQJYCBJWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4O2/c10-7-5-6(1-2-12-7)8(15)13-3-4-14-9(11)16/h1-2,5H,3-4H2,(H,13,15)(H3,11,14,16).
What are the key properties of 2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide?
2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide has a molecular weight of 287.12 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 103755430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).