3-bromo-N,4-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine

C13H20BrN3 — CID 106876520

IUPAC3-bromo-N,4-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine
SMILESCc1ccnc(N(C)C2CCN(C)CC2)c1Br
InChIInChI=1S/C13H20BrN3/c1-10-4-7-15-13(12(10)14)17(3)11-5-8-16(2)9-6-11/h4,7,11H,5-6,8-9H2,1-3H3
InChIKeySYWSZSCFRLMAFU-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.68
Rot. Bonds2

About 3-bromo-N,4-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine

3-bromo-N,4-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine (PubChem CID 106876520) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 3-bromo-N,4-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N,4-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine
PubChem CID106876520
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name3-bromo-N,4-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine
SMILESCc1ccnc(N(C)C2CCN(C)CC2)c1Br
InChIInChI=1S/C13H20BrN3/c1-10-4-7-15-13(12(10)14)17(3)11-5-8-16(2)9-6-11/h4,7,11H,5-6,8-9H2,1-3H3
InChIKeySYWSZSCFRLMAFU-UHFFFAOYSA-N
XLogP2.68
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N,4-dimethyl-N-(1-methylpiperidin-4-yl)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-(1-cyclopropylethyl)-N,4-dimethylpyridin-2-amine
CID 106876628
5-bromo-4-N,6-N-dimethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 114071900
(1S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]ethanol
CID 114055774
1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine
CID 106876604
5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 55137155
N,3-dimethyl-5-(methylaminomethyl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 80628377
1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine
CID 106879126
4-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 145392722
3-bromo-N-[(3-bromocyclobutyl)methyl]-N,4-dimethylpyridin-2-amine
CID 106879028
2-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine
CID 106879187
2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol
CID 106876368
6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 58997382

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,4-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
The IUPAC name of 3-bromo-N,4-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine (CID 106876520) is 3-bromo-N,4-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N,4-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N,4-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine is Cc1ccnc(N(C)C2CCN(C)CC2)c1Br.
What is the InChIKey of 3-bromo-N,4-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
The InChIKey is SYWSZSCFRLMAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-10-4-7-15-13(12(10)14)17(3)11-5-8-16(2)9-6-11/h4,7,11H,5-6,8-9H2,1-3H3.
What are the key properties of 3-bromo-N,4-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
3-bromo-N,4-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine has a molecular weight of 298.23 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,4-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine is sourced from PubChem (CID 106876520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).