6-bromo-4-methyl-N-[4-(2H-pyrrol-4-yl)-2-pyridinyl]pyridin-2-amine

C15H13BrN4 — CID 118423590

IUPAC6-bromo-4-methyl-N-[4-(2H-pyrrol-4-yl)-2-pyridinyl]pyridin-2-amine
SMILESCc1cc(Br)nc(Nc2cc(C3=CCN=C3)ccn2)c1
InChIInChI=1S/C15H13BrN4/c1-10-6-13(16)19-15(7-10)20-14-8-11(3-5-18-14)12-2-4-17-9-12/h2-3,5-9H,4H2,1H3,(H,18,19,20)
InChIKeyKCLPQEDBNVXUEX-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.76
Rot. Bonds3

About 6-bromo-4-methyl-N-[4-(2H-pyrrol-4-yl)-2-pyridinyl]pyridin-2-amine

6-bromo-4-methyl-N-[4-(2H-pyrrol-4-yl)-2-pyridinyl]pyridin-2-amine (PubChem CID 118423590) has the molecular formula C15H13BrN4 and a molecular weight of 329.20 g/mol. Its IUPAC name is 6-bromo-4-methyl-N-[4-(2H-pyrrol-4-yl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-4-methyl-N-[4-(2H-pyrrol-4-yl)-2-pyridinyl]pyridin-2-amine
PubChem CID118423590
Molecular FormulaC15H13BrN4
Molecular Weight329.20 g/mol
Exact Mass328.03
IUPAC Name6-bromo-4-methyl-N-[4-(2H-pyrrol-4-yl)-2-pyridinyl]pyridin-2-amine
SMILESCc1cc(Br)nc(Nc2cc(C3=CCN=C3)ccn2)c1
InChIInChI=1S/C15H13BrN4/c1-10-6-13(16)19-15(7-10)20-14-8-11(3-5-18-14)12-2-4-17-9-12/h2-3,5-9H,4H2,1H3,(H,18,19,20)
InChIKeyKCLPQEDBNVXUEX-UHFFFAOYSA-N
XLogP3.76
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-4-methyl-N-(4-propoxy-2-pyridinyl)pyridin-2-amine
CID 89155872
6-bromo-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 154684827
N-(3,5-dimethylphenyl)-4-methylpyridin-2-amine
CID 53414319
6-(6-bromo-2-pyridinyl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine
CID 87745943
6-bromo-N-[1-[2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]-4-pyridinyl]-2,2-difluoroethyl]-4-(difluoromethyl)-2H-pyridin-2-yl]-4-methylpyridin-2-amine
CID 162592816
2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]propan-2-yl]phenol
CID 53251072
1-(3-methylphenyl)-3-[4-(2H-pyrrol-4-yl)phenyl]urea
CID 157150438
N-[4-(difluoromethyl)-2-pyridinyl]-6-ethynyl-4-methylpyridin-2-amine
CID 118272246
6-bromo-4-(bromomethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 90237738
2-bromo-4-(2,4,6-trimethylphenyl)pyridine
CID 168984492
6-bromo-4-(methoxymethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 90237804
N-(4-bromo-2-pyridinyl)-6-methoxypyrimidin-4-amine
CID 163235584

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-N-[4-(2H-pyrrol-4-yl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 6-bromo-4-methyl-N-[4-(2H-pyrrol-4-yl)-2-pyridinyl]pyridin-2-amine (CID 118423590) is 6-bromo-4-methyl-N-[4-(2H-pyrrol-4-yl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 6-bromo-4-methyl-N-[4-(2H-pyrrol-4-yl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 6-bromo-4-methyl-N-[4-(2H-pyrrol-4-yl)-2-pyridinyl]pyridin-2-amine is Cc1cc(Br)nc(Nc2cc(C3=CCN=C3)ccn2)c1.
What is the InChIKey of 6-bromo-4-methyl-N-[4-(2H-pyrrol-4-yl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is KCLPQEDBNVXUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4/c1-10-6-13(16)19-15(7-10)20-14-8-11(3-5-18-14)12-2-4-17-9-12/h2-3,5-9H,4H2,1H3,(H,18,19,20).
What are the key properties of 6-bromo-4-methyl-N-[4-(2H-pyrrol-4-yl)-2-pyridinyl]pyridin-2-amine?
6-bromo-4-methyl-N-[4-(2H-pyrrol-4-yl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 329.20 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-N-[4-(2H-pyrrol-4-yl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 118423590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).