5-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine

C16H22BrN3O — CID 62280121

IUPAC5-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCc1ccc(CN(C)c2ncc(Br)cc2CNC(C)C)o1
InChIInChI=1S/C16H22BrN3O/c1-11(2)18-8-13-7-14(17)9-19-16(13)20(4)10-15-6-5-12(3)21-15/h5-7,9,11,18H,8,10H2,1-4H3
InChIKeyJLZKCCDCDVSVIP-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.88
Rot. Bonds6

About 5-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine

5-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 62280121) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID62280121
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name5-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCc1ccc(CN(C)c2ncc(Br)cc2CNC(C)C)o1
InChIInChI=1S/C16H22BrN3O/c1-11(2)18-8-13-7-14(17)9-19-16(13)20(4)10-15-6-5-12(3)21-15/h5-7,9,11,18H,8,10H2,1-4H3
InChIKeyJLZKCCDCDVSVIP-UHFFFAOYSA-N
XLogP3.88
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 62280121) is 5-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine is Cc1ccc(CN(C)c2ncc(Br)cc2CNC(C)C)o1.
What is the InChIKey of 5-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is JLZKCCDCDVSVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-11(2)18-8-13-7-14(17)9-19-16(13)20(4)10-15-6-5-12(3)21-15/h5-7,9,11,18H,8,10H2,1-4H3.
What are the key properties of 5-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
5-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 352.28 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62280121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).