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

C14H13N3O2 — CID 79239685

IUPAC4-[(6-amino-2-pyridinyl)methoxy]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1OCc1cccc(N)n1
InChIInChI=1S/C14H13N3O2/c1-18-13-7-10(8-15)5-6-12(13)19-9-11-3-2-4-14(16)17-11/h2-7H,9H2,1H3,(H2,16,17)
InChIKeyMJNZOTTZCMGANH-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.12
Rot. Bonds4

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

4-[(6-amino-2-pyridinyl)methoxy]-3-methoxybenzonitrile (PubChem CID 79239685) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-[(6-amino-2-pyridinyl)methoxy]-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-[(6-amino-2-pyridinyl)methoxy]-3-methoxybenzonitrile
PubChem CID79239685
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name4-[(6-amino-2-pyridinyl)methoxy]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1OCc1cccc(N)n1
InChIInChI=1S/C14H13N3O2/c1-18-13-7-10(8-15)5-6-12(13)19-9-11-3-2-4-14(16)17-11/h2-7H,9H2,1H3,(H2,16,17)
InChIKeyMJNZOTTZCMGANH-UHFFFAOYSA-N
XLogP2.12
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-4-[(6-methyl-2-pyridinyl)methoxy]benzonitrile
CID 79267517
4-[(6-amino-2-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 115468338
4-[(6-amino-2-pyridinyl)methoxy]benzonitrile
CID 79239436
4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile
CID 117053030
6-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridin-2-amine
CID 79403480
3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile
CID 103760415
3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]benzonitrile
CID 63985087
4-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207
4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile
CID 103054689
4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzonitrile
CID 43231298
4-[(4-cyano-2-methoxyphenoxy)methyl]-3-methylbenzonitrile
CID 114481463
4-methyl-3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile
CID 107660580

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-2-pyridinyl)methoxy]-3-methoxybenzonitrile?
The IUPAC name of 4-[(6-amino-2-pyridinyl)methoxy]-3-methoxybenzonitrile (CID 79239685) is 4-[(6-amino-2-pyridinyl)methoxy]-3-methoxybenzonitrile.
What is the SMILES notation for 4-[(6-amino-2-pyridinyl)methoxy]-3-methoxybenzonitrile?
The canonical SMILES for 4-[(6-amino-2-pyridinyl)methoxy]-3-methoxybenzonitrile is COc1cc(C#N)ccc1OCc1cccc(N)n1.
What is the InChIKey of 4-[(6-amino-2-pyridinyl)methoxy]-3-methoxybenzonitrile?
The InChIKey is MJNZOTTZCMGANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-18-13-7-10(8-15)5-6-12(13)19-9-11-3-2-4-14(16)17-11/h2-7H,9H2,1H3,(H2,16,17).
What are the key properties of 4-[(6-amino-2-pyridinyl)methoxy]-3-methoxybenzonitrile?
4-[(6-amino-2-pyridinyl)methoxy]-3-methoxybenzonitrile has a molecular weight of 255.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-2-pyridinyl)methoxy]-3-methoxybenzonitrile is sourced from PubChem (CID 79239685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).