N-(7-bromo-1,5-naphthyridin-4-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

C14H16BrF3N4 — CID 133482029

IUPACN-(7-bromo-1,5-naphthyridin-4-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCN(CCCNc1ccnc2cc(Br)cnc12)CC(F)(F)F
InChIInChI=1S/C14H16BrF3N4/c1-22(9-14(16,17)18)6-2-4-19-11-3-5-20-12-7-10(15)8-21-13(11)12/h3,5,7-8H,2,4,6,9H2,1H3,(H,19,20)
InChIKeyCRIRPSMKUGNUGX-UHFFFAOYSA-N
MW377.21 g/mol
LogP3.69
Rot. Bonds6

About N-(7-bromo-1,5-naphthyridin-4-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

N-(7-bromo-1,5-naphthyridin-4-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 133482029) has the molecular formula C14H16BrF3N4 and a molecular weight of 377.21 g/mol. Its IUPAC name is N-(7-bromo-1,5-naphthyridin-4-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-(7-bromo-1,5-naphthyridin-4-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID133482029
Molecular FormulaC14H16BrF3N4
Molecular Weight377.21 g/mol
Exact Mass376.05
IUPAC NameN-(7-bromo-1,5-naphthyridin-4-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCN(CCCNc1ccnc2cc(Br)cnc12)CC(F)(F)F
InChIInChI=1S/C14H16BrF3N4/c1-22(9-14(16,17)18)6-2-4-19-11-3-5-20-12-7-10(15)8-21-13(11)12/h3,5,7-8H,2,4,6,9H2,1H3,(H,19,20)
InChIKeyCRIRPSMKUGNUGX-UHFFFAOYSA-N
XLogP3.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-bromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,5-naphthyridin-4-amine
CID 104891853
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol
CID 113394421
7-bromo-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,5-naphthyridin-4-amine
CID 133483385
7-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,5-naphthyridin-4-amine
CID 104891886
7-bromo-N-[(2-methylcyclopropyl)methyl]-1,5-naphthyridin-4-amine
CID 113463910
7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine
CID 106419106
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 91660936
1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine
CID 106286919
1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol
CID 104891759
7-bromo-N-(2-methyl-3-nitropropyl)-1,5-naphthyridin-4-amine
CID 67052452
7-bromo-N-(2-pyrrolidin-2-ylethyl)-1,5-naphthyridin-4-amine
CID 114794555
7-bromo-N-(2,3-dimethoxypropyl)-1,5-naphthyridin-4-amine
CID 104891864

Frequently Asked Questions

What is the IUPAC name of N-(7-bromo-1,5-naphthyridin-4-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N-(7-bromo-1,5-naphthyridin-4-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 133482029) is N-(7-bromo-1,5-naphthyridin-4-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N-(7-bromo-1,5-naphthyridin-4-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N-(7-bromo-1,5-naphthyridin-4-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CN(CCCNc1ccnc2cc(Br)cnc12)CC(F)(F)F.
What is the InChIKey of N-(7-bromo-1,5-naphthyridin-4-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is CRIRPSMKUGNUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF3N4/c1-22(9-14(16,17)18)6-2-4-19-11-3-5-20-12-7-10(15)8-21-13(11)12/h3,5,7-8H,2,4,6,9H2,1H3,(H,19,20).
What are the key properties of N-(7-bromo-1,5-naphthyridin-4-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N-(7-bromo-1,5-naphthyridin-4-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 377.21 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bromo-1,5-naphthyridin-4-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 133482029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).