3-bromo-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine

C16H14BrN3O — CID 164934777

IUPAC3-bromo-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine
SMILESCOc1ccc(CNc2cc3ncc(Br)cc3cn2)cc1
InChIInChI=1S/C16H14BrN3O/c1-21-14-4-2-11(3-5-14)8-19-16-7-15-12(9-20-16)6-13(17)10-18-15/h2-7,9-10H,8H2,1H3,(H,19,20)
InChIKeyVOFPPAIMFSAIFU-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.01
Rot. Bonds4

About 3-bromo-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine

3-bromo-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine (PubChem CID 164934777) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 3-bromo-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine.

Molecular Properties

Compound Name3-bromo-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine
PubChem CID164934777
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name3-bromo-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine
SMILESCOc1ccc(CNc2cc3ncc(Br)cc3cn2)cc1
InChIInChI=1S/C16H14BrN3O/c1-21-14-4-2-11(3-5-14)8-19-16-7-15-12(9-20-16)6-13(17)10-18-15/h2-7,9-10H,8H2,1H3,(H,19,20)
InChIKeyVOFPPAIMFSAIFU-UHFFFAOYSA-N
XLogP4.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-N-[(4-methoxyphenyl)methyl]-4-methyl-1,5-naphthyridin-2-amine
CID 166460553
N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine
CID 103802163
2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine
CID 83265796
5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 136973640
1-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868273
N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine
CID 118954417
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860204
13-bromo-2-ethyl-5-[(4-methoxyphenyl)methylamino]-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
CID 10647970
4-N-(2-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860302
N-[(4-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine
CID 56683452
1-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]cyclopropane-1-carboxylic acid
CID 177349208

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine?
The IUPAC name of 3-bromo-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine (CID 164934777) is 3-bromo-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine.
What is the SMILES notation for 3-bromo-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine?
The canonical SMILES for 3-bromo-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine is COc1ccc(CNc2cc3ncc(Br)cc3cn2)cc1.
What is the InChIKey of 3-bromo-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine?
The InChIKey is VOFPPAIMFSAIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-21-14-4-2-11(3-5-14)8-19-16-7-15-12(9-20-16)6-13(17)10-18-15/h2-7,9-10H,8H2,1H3,(H,19,20).
What are the key properties of 3-bromo-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine?
3-bromo-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine has a molecular weight of 344.21 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine is sourced from PubChem (CID 164934777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).