6-[(3-hydroxy-4-methoxyphenyl)methylamino]pyridine-2-carbonitrile

C14H13N3O2 — CID 133392143

IUPAC6-[(3-hydroxy-4-methoxyphenyl)methylamino]pyridine-2-carbonitrile
SMILESCOc1ccc(CNc2cccc(C#N)n2)cc1O
InChIInChI=1S/C14H13N3O2/c1-19-13-6-5-10(7-12(13)18)9-16-14-4-2-3-11(8-15)17-14/h2-7,18H,9H2,1H3,(H,16,17)
InChIKeyPBFWTZPRHAFSHT-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.28
Rot. Bonds4

About 6-[(3-hydroxy-4-methoxyphenyl)methylamino]pyridine-2-carbonitrile

6-[(3-hydroxy-4-methoxyphenyl)methylamino]pyridine-2-carbonitrile (PubChem CID 133392143) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-[(3-hydroxy-4-methoxyphenyl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(3-hydroxy-4-methoxyphenyl)methylamino]pyridine-2-carbonitrile
PubChem CID133392143
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name6-[(3-hydroxy-4-methoxyphenyl)methylamino]pyridine-2-carbonitrile
SMILESCOc1ccc(CNc2cccc(C#N)n2)cc1O
InChIInChI=1S/C14H13N3O2/c1-19-13-6-5-10(7-12(13)18)9-16-14-4-2-3-11(8-15)17-14/h2-7,18H,9H2,1H3,(H,16,17)
InChIKeyPBFWTZPRHAFSHT-UHFFFAOYSA-N
XLogP2.28
TPSA78.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-hydroxy-4-methoxyphenyl)methylamino]-3-methoxybenzonitrile
CID 107467113
6-[[4-(aminomethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 81090675
2-methoxy-5-[[(5-methyl-2-pyridinyl)amino]methyl]phenol
CID 71695384
4-[[(6-cyano-2-pyridinyl)amino]methyl]benzoic acid
CID 64588346
N-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpyridin-2-amine
CID 133378421
5-[[(1-benzylpyrazol-3-yl)amino]methyl]-2-methoxyphenol
CID 71918483
2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol
CID 43743650
methyl 2-[(6-cyano-2-pyridinyl)amino]acetate
CID 64589954
2-methoxy-5-[(2,4,6-trimethylanilino)methyl]phenol
CID 39370195
2-cyano-N-[(3-hydroxy-4-methoxyphenyl)methyl]acetamide
CID 20985064
2-methoxy-5-[[(6-methyl-3-pyridinyl)amino]methyl]phenol
CID 81498732
5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methoxyphenol
CID 43547406

Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxy-4-methoxyphenyl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 6-[(3-hydroxy-4-methoxyphenyl)methylamino]pyridine-2-carbonitrile (CID 133392143) is 6-[(3-hydroxy-4-methoxyphenyl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(3-hydroxy-4-methoxyphenyl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(3-hydroxy-4-methoxyphenyl)methylamino]pyridine-2-carbonitrile is COc1ccc(CNc2cccc(C#N)n2)cc1O.
What is the InChIKey of 6-[(3-hydroxy-4-methoxyphenyl)methylamino]pyridine-2-carbonitrile?
The InChIKey is PBFWTZPRHAFSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-19-13-6-5-10(7-12(13)18)9-16-14-4-2-3-11(8-15)17-14/h2-7,18H,9H2,1H3,(H,16,17).
What are the key properties of 6-[(3-hydroxy-4-methoxyphenyl)methylamino]pyridine-2-carbonitrile?
6-[(3-hydroxy-4-methoxyphenyl)methylamino]pyridine-2-carbonitrile has a molecular weight of 255.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxy-4-methoxyphenyl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133392143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).