6-bromo-4-methyl-N-(4-propoxy-2-pyridinyl)pyridin-2-amine

C14H16BrN3O — CID 89155872

IUPAC6-bromo-4-methyl-N-(4-propoxy-2-pyridinyl)pyridin-2-amine
SMILESCCCOc1ccnc(Nc2cc(C)cc(Br)n2)c1
InChIInChI=1S/C14H16BrN3O/c1-3-6-19-11-4-5-16-13(9-11)18-14-8-10(2)7-12(15)17-14/h4-5,7-9H,3,6H2,1-2H3,(H,16,17,18)
InChIKeyJCBXNYBBDFMDKQ-UHFFFAOYSA-N
MW322.21 g/mol
LogP4.08
Rot. Bonds5

About 6-bromo-4-methyl-N-(4-propoxy-2-pyridinyl)pyridin-2-amine

6-bromo-4-methyl-N-(4-propoxy-2-pyridinyl)pyridin-2-amine (PubChem CID 89155872) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 6-bromo-4-methyl-N-(4-propoxy-2-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-4-methyl-N-(4-propoxy-2-pyridinyl)pyridin-2-amine
PubChem CID89155872
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name6-bromo-4-methyl-N-(4-propoxy-2-pyridinyl)pyridin-2-amine
SMILESCCCOc1ccnc(Nc2cc(C)cc(Br)n2)c1
InChIInChI=1S/C14H16BrN3O/c1-3-6-19-11-4-5-16-13(9-11)18-14-8-10(2)7-12(15)17-14/h4-5,7-9H,3,6H2,1-2H3,(H,16,17,18)
InChIKeyJCBXNYBBDFMDKQ-UHFFFAOYSA-N
XLogP4.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 54.08
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-(2H-pyrrol-4-yl)-2-pyridinyl]pyridin-2-amine
CID 118423590
(1R)-1-hydroxy-1-[5-[4-methyl-6-[(4-propoxy-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydroindene-5-carboxylic acid
CID 75202184
N-(3,5-dimethylphenyl)-4-methylpyridin-2-amine
CID 53414319
4-butoxy-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122315371
6-(6-bromo-2-pyridinyl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine
CID 87745943
4-bromo-7-propoxyquinoline
CID 119087802
6-bromo-4-(methoxymethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 90237804
4-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-2-amine
CID 104568201
2,6-dimethyl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine
CID 163629227
4-methyl-N-(3-propoxypropyl)pyridin-2-amine
CID 82943413
3-N-(3,5-dimethylphenyl)-5-propoxybenzene-1,3-diamine
CID 80722258
3-methyl-7-propoxyquinoline
CID 68611316

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-N-(4-propoxy-2-pyridinyl)pyridin-2-amine?
The IUPAC name of 6-bromo-4-methyl-N-(4-propoxy-2-pyridinyl)pyridin-2-amine (CID 89155872) is 6-bromo-4-methyl-N-(4-propoxy-2-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-4-methyl-N-(4-propoxy-2-pyridinyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-4-methyl-N-(4-propoxy-2-pyridinyl)pyridin-2-amine is CCCOc1ccnc(Nc2cc(C)cc(Br)n2)c1.
What is the InChIKey of 6-bromo-4-methyl-N-(4-propoxy-2-pyridinyl)pyridin-2-amine?
The InChIKey is JCBXNYBBDFMDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-3-6-19-11-4-5-16-13(9-11)18-14-8-10(2)7-12(15)17-14/h4-5,7-9H,3,6H2,1-2H3,(H,16,17,18).
What are the key properties of 6-bromo-4-methyl-N-(4-propoxy-2-pyridinyl)pyridin-2-amine?
6-bromo-4-methyl-N-(4-propoxy-2-pyridinyl)pyridin-2-amine has a molecular weight of 322.21 g/mol, XLogP of 4.08, 5 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-propoxy-2-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 89155872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).