3-bromo-4-methyl-5-nitro-N-(2-piperidin-1-ylethyl)pyridin-2-amine

C13H19BrN4O2 — CID 104507908

IUPAC3-bromo-4-methyl-5-nitro-N-(2-piperidin-1-ylethyl)pyridin-2-amine
SMILESCc1c([N+](=O)[O-])cnc(NCCN2CCCCC2)c1Br
InChIInChI=1S/C13H19BrN4O2/c1-10-11(18(19)20)9-16-13(12(10)14)15-5-8-17-6-3-2-4-7-17/h9H,2-8H2,1H3,(H,15,16)
InChIKeyQZYMRQYRSXLERZ-UHFFFAOYSA-N
MW343.23 g/mol
LogP2.96
Rot. Bonds5

About 3-bromo-4-methyl-5-nitro-N-(2-piperidin-1-ylethyl)pyridin-2-amine

3-bromo-4-methyl-5-nitro-N-(2-piperidin-1-ylethyl)pyridin-2-amine (PubChem CID 104507908) has the molecular formula C13H19BrN4O2 and a molecular weight of 343.23 g/mol. Its IUPAC name is 3-bromo-4-methyl-5-nitro-N-(2-piperidin-1-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-methyl-5-nitro-N-(2-piperidin-1-ylethyl)pyridin-2-amine
PubChem CID104507908
Molecular FormulaC13H19BrN4O2
Molecular Weight343.23 g/mol
Exact Mass342.07
IUPAC Name3-bromo-4-methyl-5-nitro-N-(2-piperidin-1-ylethyl)pyridin-2-amine
SMILESCc1c([N+](=O)[O-])cnc(NCCN2CCCCC2)c1Br
InChIInChI=1S/C13H19BrN4O2/c1-10-11(18(19)20)9-16-13(12(10)14)15-5-8-17-6-3-2-4-7-17/h9H,2-8H2,1H3,(H,15,16)
InChIKeyQZYMRQYRSXLERZ-UHFFFAOYSA-N
XLogP2.96
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 52.96
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

3-bromo-N-but-3-ynyl-4-methyl-5-nitropyridin-2-amine
CID 104508007
3-bromo-4-methyl-5-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 104507865
N-[2-(azepan-1-yl)ethyl]-3-bromo-5-nitropyridin-2-amine
CID 79534244
3-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyridin-2-amine
CID 104507914
3-bromo-N-(2-cyclopentyloxyethyl)-4-methyl-5-nitropyridin-2-amine
CID 104507993
6-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)amino]hexan-1-ol
CID 104576591
5-nitro-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 114044720
N'-(3-bromo-4-methyl-5-nitro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 104508181
5-methyl-4-nitro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 83268380
N-[3-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)amino]propyl]methanesulfonamide
CID 104576353
3-bromo-N-(2,2-difluoroethyl)-4-methyl-5-nitropyridin-2-amine
CID 104508108
2-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)amino]-N-propylacetamide
CID 104507787

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-5-nitro-N-(2-piperidin-1-ylethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-4-methyl-5-nitro-N-(2-piperidin-1-ylethyl)pyridin-2-amine (CID 104507908) is 3-bromo-4-methyl-5-nitro-N-(2-piperidin-1-ylethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-4-methyl-5-nitro-N-(2-piperidin-1-ylethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-4-methyl-5-nitro-N-(2-piperidin-1-ylethyl)pyridin-2-amine is Cc1c([N+](=O)[O-])cnc(NCCN2CCCCC2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-5-nitro-N-(2-piperidin-1-ylethyl)pyridin-2-amine?
The InChIKey is QZYMRQYRSXLERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O2/c1-10-11(18(19)20)9-16-13(12(10)14)15-5-8-17-6-3-2-4-7-17/h9H,2-8H2,1H3,(H,15,16).
What are the key properties of 3-bromo-4-methyl-5-nitro-N-(2-piperidin-1-ylethyl)pyridin-2-amine?
3-bromo-4-methyl-5-nitro-N-(2-piperidin-1-ylethyl)pyridin-2-amine has a molecular weight of 343.23 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-5-nitro-N-(2-piperidin-1-ylethyl)pyridin-2-amine is sourced from PubChem (CID 104507908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).