5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine

C13H14BrN3O — CID 79718796

IUPAC5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine
SMILESCOc1cc(CNc2ncc(Br)cc2C)ccn1
InChIInChI=1S/C13H14BrN3O/c1-9-5-11(14)8-17-13(9)16-7-10-3-4-15-12(6-10)18-2/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyKXKAPVPNSPJVCI-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.17
Rot. Bonds4

About 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine

5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine (PubChem CID 79718796) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine
PubChem CID79718796
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine
SMILESCOc1cc(CNc2ncc(Br)cc2C)ccn1
InChIInChI=1S/C13H14BrN3O/c1-9-5-11(14)8-17-13(9)16-7-10-3-4-15-12(6-10)18-2/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyKXKAPVPNSPJVCI-UHFFFAOYSA-N
XLogP3.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine
CID 79718282
5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine
CID 133373882
[3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 79718432
5-iodo-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine
CID 66343046
4-bromo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine
CID 65342517
4-N-[(2-methoxy-4-pyridinyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80831708
5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide
CID 36582613
3,5,6-trichloro-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine
CID 102751039
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
4-bromo-2-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid
CID 114907362
3-N-ethyl-5-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3,5-diamine
CID 104534447
3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N-methylbenzenesulfonamide
CID 133373833

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine (CID 79718796) is 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine is COc1cc(CNc2ncc(Br)cc2C)ccn1.
What is the InChIKey of 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine?
The InChIKey is KXKAPVPNSPJVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-9-5-11(14)8-17-13(9)16-7-10-3-4-15-12(6-10)18-2/h3-6,8H,7H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine?
5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine has a molecular weight of 308.18 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 79718796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).