7-bromo-N-(2-methyl-3-nitropropyl)-1,5-naphthyridin-4-amine

C12H13BrN4O2 — CID 67052452

IUPAC7-bromo-N-(2-methyl-3-nitropropyl)-1,5-naphthyridin-4-amine
SMILESCC(CNc1ccnc2cc(Br)cnc12)C[N+](=O)[O-]
InChIInChI=1S/C12H13BrN4O2/c1-8(7-17(18)19)5-15-10-2-3-14-11-4-9(13)6-16-12(10)11/h2-4,6,8H,5,7H2,1H3,(H,14,15)
InChIKeyHZFYFFNMIUXYON-UHFFFAOYSA-N
MW325.17 g/mol
LogP2.72
Rot. Bonds5

About 7-bromo-N-(2-methyl-3-nitropropyl)-1,5-naphthyridin-4-amine

7-bromo-N-(2-methyl-3-nitropropyl)-1,5-naphthyridin-4-amine (PubChem CID 67052452) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is 7-bromo-N-(2-methyl-3-nitropropyl)-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-(2-methyl-3-nitropropyl)-1,5-naphthyridin-4-amine
PubChem CID67052452
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name7-bromo-N-(2-methyl-3-nitropropyl)-1,5-naphthyridin-4-amine
SMILESCC(CNc1ccnc2cc(Br)cnc12)C[N+](=O)[O-]
InChIInChI=1S/C12H13BrN4O2/c1-8(7-17(18)19)5-15-10-2-3-14-11-4-9(13)6-16-12(10)11/h2-4,6,8H,5,7H2,1H3,(H,14,15)
InChIKeyHZFYFFNMIUXYON-UHFFFAOYSA-N
XLogP2.72
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 52.72
H-Bond Donors ≤ 51
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

1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine
CID 106286919
1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol
CID 104891759
7-bromo-N-(2,3-dimethoxypropyl)-1,5-naphthyridin-4-amine
CID 104891864
7-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,5-naphthyridin-4-amine
CID 133483569
7-bromo-N-(1-chloro-4-methylpentan-2-yl)-1,5-naphthyridin-4-amine
CID 113394587
7-bromo-N-[(4-ethylsulfonylphenyl)methyl]-1,5-naphthyridin-4-amine
CID 133465726
N-(5-bromo-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 113282676
7-bromo-N-[(2-methylcyclopropyl)methyl]-1,5-naphthyridin-4-amine
CID 113463910
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol
CID 113394421
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 91660936
2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 103111680
7-bromo-N-pent-1-yn-3-yl-1,5-naphthyridin-4-amine
CID 106231224

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(2-methyl-3-nitropropyl)-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-(2-methyl-3-nitropropyl)-1,5-naphthyridin-4-amine (CID 67052452) is 7-bromo-N-(2-methyl-3-nitropropyl)-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-(2-methyl-3-nitropropyl)-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-(2-methyl-3-nitropropyl)-1,5-naphthyridin-4-amine is CC(CNc1ccnc2cc(Br)cnc12)C[N+](=O)[O-].
What is the InChIKey of 7-bromo-N-(2-methyl-3-nitropropyl)-1,5-naphthyridin-4-amine?
The InChIKey is HZFYFFNMIUXYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-8(7-17(18)19)5-15-10-2-3-14-11-4-9(13)6-16-12(10)11/h2-4,6,8H,5,7H2,1H3,(H,14,15).
What are the key properties of 7-bromo-N-(2-methyl-3-nitropropyl)-1,5-naphthyridin-4-amine?
7-bromo-N-(2-methyl-3-nitropropyl)-1,5-naphthyridin-4-amine has a molecular weight of 325.17 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(2-methyl-3-nitropropyl)-1,5-naphthyridin-4-amine is sourced from PubChem (CID 67052452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).