(2S)-2-N-(7-bromo-1,5-naphthyridin-4-yl)-2-N-methylpropane-1,2-diamine

C12H15BrN4 — CID 164638865

IUPAC(2S)-2-N-(7-bromo-1,5-naphthyridin-4-yl)-2-N-methylpropane-1,2-diamine
SMILESC[C@@H](CN)N(C)c1ccnc2cc(Br)cnc12
InChIInChI=1S/C12H15BrN4/c1-8(6-14)17(2)11-3-4-15-10-5-9(13)7-16-12(10)11/h3-5,7-8H,6,14H2,1-2H3/t8-/m0/s1
InChIKeyUVCABHSSGGZHIL-QMMMGPOBSA-N
MW295.18 g/mol
LogP2.18
Rot. Bonds3

About (2S)-2-N-(7-bromo-1,5-naphthyridin-4-yl)-2-N-methylpropane-1,2-diamine

(2S)-2-N-(7-bromo-1,5-naphthyridin-4-yl)-2-N-methylpropane-1,2-diamine (PubChem CID 164638865) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is (2S)-2-N-(7-bromo-1,5-naphthyridin-4-yl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N-(7-bromo-1,5-naphthyridin-4-yl)-2-N-methylpropane-1,2-diamine
PubChem CID164638865
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name(2S)-2-N-(7-bromo-1,5-naphthyridin-4-yl)-2-N-methylpropane-1,2-diamine
SMILESC[C@@H](CN)N(C)c1ccnc2cc(Br)cnc12
InChIInChI=1S/C12H15BrN4/c1-8(6-14)17(2)11-3-4-15-10-5-9(13)7-16-12(10)11/h3-5,7-8H,6,14H2,1-2H3/t8-/m0/s1
InChIKeyUVCABHSSGGZHIL-QMMMGPOBSA-N
XLogP2.18
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-N-(7-bromo-1,5-naphthyridin-4-yl)-2-N-methylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-(7-bromo-1,5-naphthyridin-4-yl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of (2S)-2-N-(7-bromo-1,5-naphthyridin-4-yl)-2-N-methylpropane-1,2-diamine (CID 164638865) is (2S)-2-N-(7-bromo-1,5-naphthyridin-4-yl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for (2S)-2-N-(7-bromo-1,5-naphthyridin-4-yl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for (2S)-2-N-(7-bromo-1,5-naphthyridin-4-yl)-2-N-methylpropane-1,2-diamine is C[C@@H](CN)N(C)c1ccnc2cc(Br)cnc12.
What is the InChIKey of (2S)-2-N-(7-bromo-1,5-naphthyridin-4-yl)-2-N-methylpropane-1,2-diamine?
The InChIKey is UVCABHSSGGZHIL-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-8(6-14)17(2)11-3-4-15-10-5-9(13)7-16-12(10)11/h3-5,7-8H,6,14H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-2-N-(7-bromo-1,5-naphthyridin-4-yl)-2-N-methylpropane-1,2-diamine?
(2S)-2-N-(7-bromo-1,5-naphthyridin-4-yl)-2-N-methylpropane-1,2-diamine has a molecular weight of 295.18 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-(7-bromo-1,5-naphthyridin-4-yl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 164638865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).