7-bromo-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,5-naphthyridin-4-amine

C16H16BrN3O2 — CID 133483808

IUPAC7-bromo-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,5-naphthyridin-4-amine
SMILESCOCC(Nc1ccnc2cc(Br)cnc12)c1ccc(C)o1
InChIInChI=1S/C16H16BrN3O2/c1-10-3-4-15(22-10)14(9-21-2)20-12-5-6-18-13-7-11(17)8-19-16(12)13/h3-8,14H,9H2,1-2H3,(H,18,20)
InChIKeyTYHVCRSEMVNLFF-UHFFFAOYSA-N
MW362.23 g/mol
LogP4.09
Rot. Bonds5

About 7-bromo-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,5-naphthyridin-4-amine

7-bromo-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,5-naphthyridin-4-amine (PubChem CID 133483808) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 7-bromo-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,5-naphthyridin-4-amine
PubChem CID133483808
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name7-bromo-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,5-naphthyridin-4-amine
SMILESCOCC(Nc1ccnc2cc(Br)cnc12)c1ccc(C)o1
InChIInChI=1S/C16H16BrN3O2/c1-10-3-4-15(22-10)14(9-21-2)20-12-5-6-18-13-7-11(17)8-19-16(12)13/h3-8,14H,9H2,1-2H3,(H,18,20)
InChIKeyTYHVCRSEMVNLFF-UHFFFAOYSA-N
XLogP4.09
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,8-difluoro-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]quinolin-4-amine
CID 133494069
7-bromo-N-(2,3-dimethoxypropyl)-1,5-naphthyridin-4-amine
CID 104891864
7-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,5-naphthyridin-4-amine
CID 104891854
7-bromo-N-(1-chloro-4-methylpentan-2-yl)-1,5-naphthyridin-4-amine
CID 113394587
7-bromo-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,5-naphthyridin-4-amine
CID 133481963
7-bromo-N-pent-1-yn-3-yl-1,5-naphthyridin-4-amine
CID 106231224
N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-methyl-2-nitroaniline
CID 133346825
[2-methoxy-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105321671
7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine
CID 106419106
6-chloro-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-methylpyrimidin-4-amine
CID 95787437
7-bromo-N-[(2-methylcyclopropyl)methyl]-1,5-naphthyridin-4-amine
CID 113463910
N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-nitropyridin-2-amine
CID 95787438

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,5-naphthyridin-4-amine (CID 133483808) is 7-bromo-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,5-naphthyridin-4-amine is COCC(Nc1ccnc2cc(Br)cnc12)c1ccc(C)o1.
What is the InChIKey of 7-bromo-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,5-naphthyridin-4-amine?
The InChIKey is TYHVCRSEMVNLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c1-10-3-4-15(22-10)14(9-21-2)20-12-5-6-18-13-7-11(17)8-19-16(12)13/h3-8,14H,9H2,1-2H3,(H,18,20).
What are the key properties of 7-bromo-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,5-naphthyridin-4-amine?
7-bromo-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,5-naphthyridin-4-amine has a molecular weight of 362.23 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 133483808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).