N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide

C10H13BrN4O2 — CID 62154291

IUPACN-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C10H13BrN4O2/c1-6(16)13-2-3-14-10(17)8-4-7(11)5-15-9(8)12/h4-5H,2-3H2,1H3,(H2,12,15)(H,13,16)(H,14,17)
InChIKeyKBXDVUWABDGJLW-UHFFFAOYSA-N
MW301.14 g/mol
LogP0.29
Rot. Bonds4

About N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide

N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide (PubChem CID 62154291) has the molecular formula C10H13BrN4O2 and a molecular weight of 301.14 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide
PubChem CID62154291
Molecular FormulaC10H13BrN4O2
Molecular Weight301.14 g/mol
Exact Mass300.02
IUPAC NameN-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C10H13BrN4O2/c1-6(16)13-2-3-14-10(17)8-4-7(11)5-15-9(8)12/h4-5H,2-3H2,1H3,(H2,12,15)(H,13,16)(H,14,17)
InChIKeyKBXDVUWABDGJLW-UHFFFAOYSA-N
XLogP0.29
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62152701
N-(2-acetamidoethyl)-2-amino-5-fluoropyridine-3-carboxamide
CID 114034926
2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide
CID 113287868
2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102907966
N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62169539
2-amino-5-bromo-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 62986651
2-amino-5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 115357192
2-amino-5-bromo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 62185478
2-amino-5-bromo-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 62186174
2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 64694166
2-amino-5-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
CID 79395352
2-amino-5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 155213563

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide (CID 62154291) is N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide is CC(=O)NCCNC(=O)c1cc(Br)cnc1N.
What is the InChIKey of N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide?
The InChIKey is KBXDVUWABDGJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O2/c1-6(16)13-2-3-14-10(17)8-4-7(11)5-15-9(8)12/h4-5H,2-3H2,1H3,(H2,12,15)(H,13,16)(H,14,17).
What are the key properties of N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide?
N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide has a molecular weight of 301.14 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide is sourced from PubChem (CID 62154291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).