2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-3-methoxybenzonitrile

C15H15N3O2 — CID 107467076

IUPAC2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1NCc1nc(C)ccc1O
InChIInChI=1S/C15H15N3O2/c1-10-6-7-13(19)12(18-10)9-17-15-11(8-16)4-3-5-14(15)20-2/h3-7,17,19H,9H2,1-2H3
InChIKeyHRHOWQBUTSEWOH-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.59
Rot. Bonds4

About 2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-3-methoxybenzonitrile

2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-3-methoxybenzonitrile (PubChem CID 107467076) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-3-methoxybenzonitrile.

Molecular Properties

Compound Name2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-3-methoxybenzonitrile
PubChem CID107467076
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1NCc1nc(C)ccc1O
InChIInChI=1S/C15H15N3O2/c1-10-6-7-13(19)12(18-10)9-17-15-11(8-16)4-3-5-14(15)20-2/h3-7,17,19H,9H2,1-2H3
InChIKeyHRHOWQBUTSEWOH-UHFFFAOYSA-N
XLogP2.59
TPSA78.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-hydroxy-4-methoxyphenyl)methylamino]-3-methoxybenzonitrile
CID 107467113
2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-3-methoxybenzonitrile
CID 107741174
2-(but-2-ynylamino)-3-methoxybenzonitrile
CID 107467432
2-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile
CID 107467002
2-[(4-bromo-3-methoxyanilino)methyl]-6-methylpyridin-3-ol
CID 79479389
3-methoxy-2-[[3-(methoxymethyl)phenyl]methylamino]benzonitrile
CID 107467080
2-[(2,3-dichlorophenyl)methylamino]-3-methoxybenzonitrile
CID 107466891
2-[(4-fluoro-3-methylphenyl)methylamino]-3-methoxybenzonitrile
CID 107466922
2-[(3-chloro-4-methylphenyl)methylamino]-3-methoxybenzonitrile
CID 107466784
2-(2-hydroxybutylamino)-3-methoxybenzonitrile
CID 107467370
2-[(3,4-difluorophenyl)methylamino]-3-methoxybenzonitrile
CID 107466691
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]-3-methoxybenzonitrile
CID 107467689

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-3-methoxybenzonitrile?
The IUPAC name of 2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-3-methoxybenzonitrile (CID 107467076) is 2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-3-methoxybenzonitrile.
What is the SMILES notation for 2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-3-methoxybenzonitrile?
The canonical SMILES for 2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-3-methoxybenzonitrile is COc1cccc(C#N)c1NCc1nc(C)ccc1O.
What is the InChIKey of 2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-3-methoxybenzonitrile?
The InChIKey is HRHOWQBUTSEWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-6-7-13(19)12(18-10)9-17-15-11(8-16)4-3-5-14(15)20-2/h3-7,17,19H,9H2,1-2H3.
What are the key properties of 2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-3-methoxybenzonitrile?
2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-3-methoxybenzonitrile has a molecular weight of 269.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-3-methoxybenzonitrile is sourced from PubChem (CID 107467076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).