6-[(2-methoxyphenyl)methylamino]-1,7-naphthyridine-3-carbonitrile

C17H14N4O — CID 174544133

IUPAC6-[(2-methoxyphenyl)methylamino]-1,7-naphthyridine-3-carbonitrile
SMILESCOc1ccccc1CNc1cc2cc(C#N)cnc2cn1
InChIInChI=1S/C17H14N4O/c1-22-16-5-3-2-4-13(16)10-20-17-7-14-6-12(8-18)9-19-15(14)11-21-17/h2-7,9,11H,10H2,1H3,(H,20,21)
InChIKeyXREQYTINKVJSBR-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.12
Rot. Bonds4

About 6-[(2-methoxyphenyl)methylamino]-1,7-naphthyridine-3-carbonitrile

6-[(2-methoxyphenyl)methylamino]-1,7-naphthyridine-3-carbonitrile (PubChem CID 174544133) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 6-[(2-methoxyphenyl)methylamino]-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2-methoxyphenyl)methylamino]-1,7-naphthyridine-3-carbonitrile
PubChem CID174544133
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name6-[(2-methoxyphenyl)methylamino]-1,7-naphthyridine-3-carbonitrile
SMILESCOc1ccccc1CNc1cc2cc(C#N)cnc2cn1
InChIInChI=1S/C17H14N4O/c1-22-16-5-3-2-4-13(16)10-20-17-7-14-6-12(8-18)9-19-15(14)11-21-17/h2-7,9,11H,10H2,1H3,(H,20,21)
InChIKeyXREQYTINKVJSBR-UHFFFAOYSA-N
XLogP3.12
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxyphenyl)methylamino]quinoline-6-carbonitrile
CID 68577120
5-amino-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carbonitrile
CID 106259794
5-chloro-N-[(2-methoxyphenyl)methyl]pyridin-2-amine
CID 28548307
6-N-[(2-methoxyphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112860098
6-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855280
4-N-[(2-methoxyphenyl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80770615
4-N-[(2-methoxyphenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860055
N-[(2-methoxyphenyl)methyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66327152
N-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 79173429
N-[(2-methoxyphenyl)methyl]quinazolin-2-amine
CID 114788826
N-(3-cyanophenyl)-6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370268
N-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-amine
CID 975932

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxyphenyl)methylamino]-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 6-[(2-methoxyphenyl)methylamino]-1,7-naphthyridine-3-carbonitrile (CID 174544133) is 6-[(2-methoxyphenyl)methylamino]-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2-methoxyphenyl)methylamino]-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-[(2-methoxyphenyl)methylamino]-1,7-naphthyridine-3-carbonitrile is COc1ccccc1CNc1cc2cc(C#N)cnc2cn1.
What is the InChIKey of 6-[(2-methoxyphenyl)methylamino]-1,7-naphthyridine-3-carbonitrile?
The InChIKey is XREQYTINKVJSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-22-16-5-3-2-4-13(16)10-20-17-7-14-6-12(8-18)9-19-15(14)11-21-17/h2-7,9,11H,10H2,1H3,(H,20,21).
What are the key properties of 6-[(2-methoxyphenyl)methylamino]-1,7-naphthyridine-3-carbonitrile?
6-[(2-methoxyphenyl)methylamino]-1,7-naphthyridine-3-carbonitrile has a molecular weight of 290.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxyphenyl)methylamino]-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 174544133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).