3-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine

C11H13BrN4 — CID 106875865

IUPAC3-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
SMILESCc1ccnc(NCc2ccn(C)n2)c1Br
InChIInChI=1S/C11H13BrN4/c1-8-3-5-13-11(10(8)12)14-7-9-4-6-16(2)15-9/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyKDYDPQXFXKZDRG-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.50
Rot. Bonds3

About 3-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine

3-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine (PubChem CID 106875865) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
PubChem CID106875865
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name3-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
SMILESCc1ccnc(NCc2ccn(C)n2)c1Br
InChIInChI=1S/C11H13BrN4/c1-8-3-5-13-11(10(8)12)14-7-9-4-6-16(2)15-9/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyKDYDPQXFXKZDRG-UHFFFAOYSA-N
XLogP2.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 103579685
3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine
CID 106896632
3-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 115757903
3-[(1-methylpyrazol-3-yl)methylamino]pyrazine-2-carbothioamide
CID 82874016
6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 82874582
1-ethyl-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride
CID 126965584
6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine
CID 106539270
3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine
CID 106878907
ethyl 2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carboxylate
CID 82874044
2-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 82867128
N-(3-bromo-4-methyl-2-pyridinyl)-N',N'-diethylethane-1,2-diamine
CID 106875424
N-[(1-methylpyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82873144

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine (CID 106875865) is 3-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine is Cc1ccnc(NCc2ccn(C)n2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine?
The InChIKey is KDYDPQXFXKZDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-8-3-5-13-11(10(8)12)14-7-9-4-6-16(2)15-9/h3-6H,7H2,1-2H3,(H,13,14).
What are the key properties of 3-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine?
3-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine has a molecular weight of 281.16 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 106875865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).