5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-methylpyridin-2-amine

C15H25BrN4 — CID 75379535

IUPAC5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NCCN1CCC(N(C)C)CC1
InChIInChI=1S/C15H25BrN4/c1-12-10-13(16)11-18-15(12)17-6-9-20-7-4-14(5-8-20)19(2)3/h10-11,14H,4-9H2,1-3H3,(H,17,18)
InChIKeyHTYBTILCYBCLQJ-UHFFFAOYSA-N
MW341.30 g/mol
LogP2.59
Rot. Bonds5

About 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-methylpyridin-2-amine

5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-methylpyridin-2-amine (PubChem CID 75379535) has the molecular formula C15H25BrN4 and a molecular weight of 341.30 g/mol. Its IUPAC name is 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-methylpyridin-2-amine
PubChem CID75379535
Molecular FormulaC15H25BrN4
Molecular Weight341.30 g/mol
Exact Mass340.13
IUPAC Name5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NCCN1CCC(N(C)C)CC1
InChIInChI=1S/C15H25BrN4/c1-12-10-13(16)11-18-15(12)17-6-9-20-7-4-14(5-8-20)19(2)3/h10-11,14H,4-9H2,1-3H3,(H,17,18)
InChIKeyHTYBTILCYBCLQJ-UHFFFAOYSA-N
XLogP2.59
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-methylpyridin-2-amine (CID 75379535) is 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-methylpyridin-2-amine is Cc1cc(Br)cnc1NCCN1CCC(N(C)C)CC1.
What is the InChIKey of 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-methylpyridin-2-amine?
The InChIKey is HTYBTILCYBCLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4/c1-12-10-13(16)11-18-15(12)17-6-9-20-7-4-14(5-8-20)19(2)3/h10-11,14H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-methylpyridin-2-amine?
5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-methylpyridin-2-amine has a molecular weight of 341.30 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 75379535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).