7-bromo-N-(1-chloro-4-methylpentan-2-yl)-1,5-naphthyridin-4-amine

C14H17BrClN3 — CID 113394587

IUPAC7-bromo-N-(1-chloro-4-methylpentan-2-yl)-1,5-naphthyridin-4-amine
SMILESCC(C)CC(CCl)Nc1ccnc2cc(Br)cnc12
InChIInChI=1S/C14H17BrClN3/c1-9(2)5-11(7-16)19-12-3-4-17-13-6-10(15)8-18-14(12)13/h3-4,6,8-9,11H,5,7H2,1-2H3,(H,17,19)
InChIKeyUZMHTYKFQWTROY-UHFFFAOYSA-N
MW342.67 g/mol
LogP4.46
Rot. Bonds5

About 7-bromo-N-(1-chloro-4-methylpentan-2-yl)-1,5-naphthyridin-4-amine

7-bromo-N-(1-chloro-4-methylpentan-2-yl)-1,5-naphthyridin-4-amine (PubChem CID 113394587) has the molecular formula C14H17BrClN3 and a molecular weight of 342.67 g/mol. Its IUPAC name is 7-bromo-N-(1-chloro-4-methylpentan-2-yl)-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-(1-chloro-4-methylpentan-2-yl)-1,5-naphthyridin-4-amine
PubChem CID113394587
Molecular FormulaC14H17BrClN3
Molecular Weight342.67 g/mol
Exact Mass341.03
IUPAC Name7-bromo-N-(1-chloro-4-methylpentan-2-yl)-1,5-naphthyridin-4-amine
SMILESCC(C)CC(CCl)Nc1ccnc2cc(Br)cnc12
InChIInChI=1S/C14H17BrClN3/c1-9(2)5-11(7-16)19-12-3-4-17-13-6-10(15)8-18-14(12)13/h3-4,6,8-9,11H,5,7H2,1-2H3,(H,17,19)
InChIKeyUZMHTYKFQWTROY-UHFFFAOYSA-N
XLogP4.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.67
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 103111680
7-bromo-N-pent-1-yn-3-yl-1,5-naphthyridin-4-amine
CID 106231224
7-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,5-naphthyridin-4-amine
CID 104891854
7-bromo-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,5-naphthyridin-4-amine
CID 133483808
7-bromo-N-(2-methyl-3-nitropropyl)-1,5-naphthyridin-4-amine
CID 67052452
1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine
CID 106286919
3-bromo-5-chloro-N-(1-chloro-4-methylpentan-2-yl)pyridin-2-amine
CID 114838487
7-bromo-N-(2-bromoethyl)-N-propan-2-yl-1,5-naphthyridin-4-amine
CID 113394590
1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol
CID 104891759
7-bromo-N-[2-(chloromethyl)cyclopentyl]-1,5-naphthyridin-4-amine
CID 106365510
7-bromo-N-(2,3-dimethoxypropyl)-1,5-naphthyridin-4-amine
CID 104891864
7-bromo-N-[2-(chloromethyl)cyclohexyl]-1,5-naphthyridin-4-amine
CID 106365685

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(1-chloro-4-methylpentan-2-yl)-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-(1-chloro-4-methylpentan-2-yl)-1,5-naphthyridin-4-amine (CID 113394587) is 7-bromo-N-(1-chloro-4-methylpentan-2-yl)-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-(1-chloro-4-methylpentan-2-yl)-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-(1-chloro-4-methylpentan-2-yl)-1,5-naphthyridin-4-amine is CC(C)CC(CCl)Nc1ccnc2cc(Br)cnc12.
What is the InChIKey of 7-bromo-N-(1-chloro-4-methylpentan-2-yl)-1,5-naphthyridin-4-amine?
The InChIKey is UZMHTYKFQWTROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3/c1-9(2)5-11(7-16)19-12-3-4-17-13-6-10(15)8-18-14(12)13/h3-4,6,8-9,11H,5,7H2,1-2H3,(H,17,19).
What are the key properties of 7-bromo-N-(1-chloro-4-methylpentan-2-yl)-1,5-naphthyridin-4-amine?
7-bromo-N-(1-chloro-4-methylpentan-2-yl)-1,5-naphthyridin-4-amine has a molecular weight of 342.67 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(1-chloro-4-methylpentan-2-yl)-1,5-naphthyridin-4-amine is sourced from PubChem (CID 113394587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).