1-amino-3-(6-bromopyridine-2-carbonyl)-3-(dimethylamino)-1-hydrazinylurea

C9H14BrN7O2 — CID 160675403

IUPAC1-amino-3-(6-bromopyridine-2-carbonyl)-3-(dimethylamino)-1-hydrazinylurea
SMILESCN(C)N(C(=O)c1cccc(Br)n1)C(=O)N(N)NN
InChIInChI=1S/C9H14BrN7O2/c1-15(2)16(9(19)17(12)14-11)8(18)6-4-3-5-7(10)13-6/h3-5,14H,11-12H2,1-2H3
InChIKeyRNLQKKZWERRHOB-UHFFFAOYSA-N
MW332.16 g/mol
LogP-0.56
Rot. Bonds3

About 1-amino-3-(6-bromopyridine-2-carbonyl)-3-(dimethylamino)-1-hydrazinylurea

1-amino-3-(6-bromopyridine-2-carbonyl)-3-(dimethylamino)-1-hydrazinylurea (PubChem CID 160675403) has the molecular formula C9H14BrN7O2 and a molecular weight of 332.16 g/mol. Its IUPAC name is 1-amino-3-(6-bromopyridine-2-carbonyl)-3-(dimethylamino)-1-hydrazinylurea.

Molecular Properties

Compound Name1-amino-3-(6-bromopyridine-2-carbonyl)-3-(dimethylamino)-1-hydrazinylurea
PubChem CID160675403
Molecular FormulaC9H14BrN7O2
Molecular Weight332.16 g/mol
Exact Mass331.04
IUPAC Name1-amino-3-(6-bromopyridine-2-carbonyl)-3-(dimethylamino)-1-hydrazinylurea
SMILESCN(C)N(C(=O)c1cccc(Br)n1)C(=O)N(N)NN
InChIInChI=1S/C9H14BrN7O2/c1-15(2)16(9(19)17(12)14-11)8(18)6-4-3-5-7(10)13-6/h3-5,14H,11-12H2,1-2H3
InChIKeyRNLQKKZWERRHOB-UHFFFAOYSA-N
XLogP-0.56
TPSA120.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 103916694
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 113351414
6-bromo-N-(3,3-dimethylbutyl)pyridine-2-carboxamide
CID 103889719
6-bromo-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide
CID 103889921
6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide
CID 21352691
6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 103916813
6-bromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 114037773
6-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 103875027
6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide
CID 134714782
6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 113343282
methyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate
CID 18918524
6-bromo-N-(3-hydroxybutyl)-N-methylpyridine-2-carboxamide
CID 103916984

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(6-bromopyridine-2-carbonyl)-3-(dimethylamino)-1-hydrazinylurea?
The IUPAC name of 1-amino-3-(6-bromopyridine-2-carbonyl)-3-(dimethylamino)-1-hydrazinylurea (CID 160675403) is 1-amino-3-(6-bromopyridine-2-carbonyl)-3-(dimethylamino)-1-hydrazinylurea.
What is the SMILES notation for 1-amino-3-(6-bromopyridine-2-carbonyl)-3-(dimethylamino)-1-hydrazinylurea?
The canonical SMILES for 1-amino-3-(6-bromopyridine-2-carbonyl)-3-(dimethylamino)-1-hydrazinylurea is CN(C)N(C(=O)c1cccc(Br)n1)C(=O)N(N)NN.
What is the InChIKey of 1-amino-3-(6-bromopyridine-2-carbonyl)-3-(dimethylamino)-1-hydrazinylurea?
The InChIKey is RNLQKKZWERRHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN7O2/c1-15(2)16(9(19)17(12)14-11)8(18)6-4-3-5-7(10)13-6/h3-5,14H,11-12H2,1-2H3.
What are the key properties of 1-amino-3-(6-bromopyridine-2-carbonyl)-3-(dimethylamino)-1-hydrazinylurea?
1-amino-3-(6-bromopyridine-2-carbonyl)-3-(dimethylamino)-1-hydrazinylurea has a molecular weight of 332.16 g/mol, XLogP of -0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(6-bromopyridine-2-carbonyl)-3-(dimethylamino)-1-hydrazinylurea is sourced from PubChem (CID 160675403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).