2-amino-5-bromo-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide

C13H11BrN4O3 — CID 62503690

IUPAC2-amino-5-bromo-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide
SMILESNc1ncc(Br)cc1C(=O)NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H11BrN4O3/c14-9-5-11(12(15)16-7-9)13(19)17-6-8-2-1-3-10(4-8)18(20)21/h1-5,7H,6H2,(H2,15,16)(H,17,19)
InChIKeyPTPQBWLNVATSSO-UHFFFAOYSA-N
MW351.16 g/mol
LogP2.26
Rot. Bonds4

About 2-amino-5-bromo-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide

2-amino-5-bromo-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide (PubChem CID 62503690) has the molecular formula C13H11BrN4O3 and a molecular weight of 351.16 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide
PubChem CID62503690
Molecular FormulaC13H11BrN4O3
Molecular Weight351.16 g/mol
Exact Mass350.00
IUPAC Name2-amino-5-bromo-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide
SMILESNc1ncc(Br)cc1C(=O)NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H11BrN4O3/c14-9-5-11(12(15)16-7-9)13(19)17-6-8-2-1-3-10(4-8)18(20)21/h1-5,7H,6H2,(H2,15,16)(H,17,19)
InChIKeyPTPQBWLNVATSSO-UHFFFAOYSA-N
XLogP2.26
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
CID 55086307
6-amino-N-[(3-nitrophenyl)methyl]pyridazine-3-carboxamide
CID 62503346
2-iodo-N-[(3-nitrophenyl)methyl]benzamide
CID 47450330
2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 64694166
2-amino-5-bromo-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide
CID 55042012
6-chloro-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide
CID 24903449
3-(methylamino)-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide
CID 105069816
2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 62152678
5-bromo-3-chloro-N-[(3-nitrophenyl)methyl]pyridin-2-amine
CID 103580153
2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106897715
2-fluoro-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide
CID 62308259
6-methyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 86852224

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide (CID 62503690) is 2-amino-5-bromo-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide is Nc1ncc(Br)cc1C(=O)NCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-amino-5-bromo-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is PTPQBWLNVATSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O3/c14-9-5-11(12(15)16-7-9)13(19)17-6-8-2-1-3-10(4-8)18(20)21/h1-5,7H,6H2,(H2,15,16)(H,17,19).
What are the key properties of 2-amino-5-bromo-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide?
2-amino-5-bromo-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 351.16 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 62503690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).