3-bromo-N-ethyl-4-methyl-5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine

C14H21BrN4O2 — CID 104508284

IUPAC3-bromo-N-ethyl-4-methyl-5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine
SMILESCCN(CC1CCNCC1)c1ncc([N+](=O)[O-])c(C)c1Br
InChIInChI=1S/C14H21BrN4O2/c1-3-18(9-11-4-6-16-7-5-11)14-13(15)10(2)12(8-17-14)19(20)21/h8,11,16H,3-7,9H2,1-2H3
InChIKeyMTQJLSWDSVQFGQ-UHFFFAOYSA-N
MW357.25 g/mol
LogP2.89
Rot. Bonds5

About 3-bromo-N-ethyl-4-methyl-5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine

3-bromo-N-ethyl-4-methyl-5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine (PubChem CID 104508284) has the molecular formula C14H21BrN4O2 and a molecular weight of 357.25 g/mol. Its IUPAC name is 3-bromo-N-ethyl-4-methyl-5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-ethyl-4-methyl-5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine
PubChem CID104508284
Molecular FormulaC14H21BrN4O2
Molecular Weight357.25 g/mol
Exact Mass356.08
IUPAC Name3-bromo-N-ethyl-4-methyl-5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine
SMILESCCN(CC1CCNCC1)c1ncc([N+](=O)[O-])c(C)c1Br
InChIInChI=1S/C14H21BrN4O2/c1-3-18(9-11-4-6-16-7-5-11)14-13(15)10(2)12(8-17-14)19(20)21/h8,11,16H,3-7,9H2,1-2H3
InChIKeyMTQJLSWDSVQFGQ-UHFFFAOYSA-N
XLogP2.89
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 52.89
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'}

Analyze 3-bromo-N-ethyl-4-methyl-5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-ethyl-5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719389
2-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)-(cyclopropylmethyl)amino]acetic acid
CID 104507417
3-bromo-N-ethyl-4-methyl-5-nitro-N-piperidin-3-ylpyridin-2-amine
CID 104508226
5-bromo-N-ethyl-2-nitro-N-(piperidin-4-ylmethyl)aniline
CID 79720247
N-ethyl-4-methyl-2-nitro-N-(piperidin-4-ylmethyl)aniline
CID 79719675
5-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 79719258
1-methyl-4-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrazol-3-amine
CID 103080325
2-[ethyl(piperidin-4-ylmethyl)amino]-3-nitropyridine-4-carbonitrile
CID 82795332
N-ethyl-4-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719680
6-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-2-amine
CID 81139190
N-ethyl-3-methyl-5-nitro-N-(piperidin-4-ylmethyl)aniline
CID 115981547
3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-4-amine
CID 79719980

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-4-methyl-5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-ethyl-4-methyl-5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine (CID 104508284) is 3-bromo-N-ethyl-4-methyl-5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-ethyl-4-methyl-5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-ethyl-4-methyl-5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine is CCN(CC1CCNCC1)c1ncc([N+](=O)[O-])c(C)c1Br.
What is the InChIKey of 3-bromo-N-ethyl-4-methyl-5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine?
The InChIKey is MTQJLSWDSVQFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O2/c1-3-18(9-11-4-6-16-7-5-11)14-13(15)10(2)12(8-17-14)19(20)21/h8,11,16H,3-7,9H2,1-2H3.
What are the key properties of 3-bromo-N-ethyl-4-methyl-5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine?
3-bromo-N-ethyl-4-methyl-5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine has a molecular weight of 357.25 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-4-methyl-5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 104508284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).