4-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxybenzonitrile

C14H14N4O2 — CID 104847934

IUPAC4-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxybenzonitrile
SMILESCOc1ccc(N)c(Nc2ccc(C#N)cc2OC)n1
InChIInChI=1S/C14H14N4O2/c1-19-12-7-9(8-15)3-5-11(12)17-14-10(16)4-6-13(18-14)20-2/h3-7H,16H2,1-2H3,(H,17,18)
InChIKeyIUORETHZQRHVSI-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.30
Rot. Bonds4

About 4-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxybenzonitrile

4-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxybenzonitrile (PubChem CID 104847934) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxybenzonitrile
PubChem CID104847934
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name4-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxybenzonitrile
SMILESCOc1ccc(N)c(Nc2ccc(C#N)cc2OC)n1
InChIInChI=1S/C14H14N4O2/c1-19-12-7-9(8-15)3-5-11(12)17-14-10(16)4-6-13(18-14)20-2/h3-7H,16H2,1-2H3,(H,17,18)
InChIKeyIUORETHZQRHVSI-UHFFFAOYSA-N
XLogP2.30
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-amino-6-chloro-2-pyridinyl)amino]-3-methoxybenzonitrile
CID 104847887
4-(3,4-diaminoanilino)-3-methoxybenzonitrile
CID 106751142
4-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methoxybenzonitrile
CID 104850224
4-(2-amino-4-methylanilino)-3-methoxybenzonitrile
CID 104847906
2-N-(2,5-dimethoxyphenyl)-6-methoxypyridine-2,3-diamine
CID 115320342
4-[(2-amino-3-pyridinyl)amino]-3-methoxybenzonitrile
CID 104847940
4-(4-aminoanilino)-3-methoxybenzonitrile
CID 104847876
4-hydrazinyl-3-methoxybenzonitrile
CID 53404328
ethane;3-methoxy-4-(methylamino)benzonitrile
CID 176701430
4-hydrazinyl-3-methoxybenzonitrile;hydrochloride
CID 53404327
4-(4-amino-2,6-difluoroanilino)-3-methoxybenzonitrile
CID 104847878
4-(3-acetyl-4-aminoanilino)-3-methoxybenzonitrile
CID 104847862

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxybenzonitrile?
The IUPAC name of 4-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxybenzonitrile (CID 104847934) is 4-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxybenzonitrile.
What is the SMILES notation for 4-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxybenzonitrile?
The canonical SMILES for 4-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxybenzonitrile is COc1ccc(N)c(Nc2ccc(C#N)cc2OC)n1.
What is the InChIKey of 4-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxybenzonitrile?
The InChIKey is IUORETHZQRHVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-19-12-7-9(8-15)3-5-11(12)17-14-10(16)4-6-13(18-14)20-2/h3-7H,16H2,1-2H3,(H,17,18).
What are the key properties of 4-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxybenzonitrile?
4-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxybenzonitrile has a molecular weight of 270.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxybenzonitrile is sourced from PubChem (CID 104847934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).