6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbonitrile

C12H10N4O — CID 24691649

IUPAC6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbonitrile
SMILESCOc1ccc(Nc2ccc(C#N)cn2)cn1
InChIInChI=1S/C12H10N4O/c1-17-12-5-3-10(8-15-12)16-11-4-2-9(6-13)7-14-11/h2-5,7-8H,1H3,(H,14,16)
InChIKeyLURIWSOSQWEOJA-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.10
Rot. Bonds3

About 6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbonitrile

6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbonitrile (PubChem CID 24691649) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbonitrile
PubChem CID24691649
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbonitrile
SMILESCOc1ccc(Nc2ccc(C#N)cn2)cn1
InChIInChI=1S/C12H10N4O/c1-17-12-5-3-10(8-15-12)16-11-4-2-9(6-13)7-14-11/h2-5,7-8H,1H3,(H,14,16)
InChIKeyLURIWSOSQWEOJA-UHFFFAOYSA-N
XLogP2.10
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-methoxy-3-pyridinyl)amino]-6-methylpyridine-4-carbonitrile
CID 114765734
5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 115487437
6-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 64590247
6-(pyridin-3-ylamino)pyridine-3-carbonitrile
CID 24690625
methane;6-methoxypyridine-3-carbaldehyde;6-methoxypyridine-3-carbonitrile
CID 162105536
6-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]amino]pyridine-3-carbonitrile
CID 95576110
6-(3,4,5-trifluoroanilino)pyridine-3-carbonitrile
CID 55119031
6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile
CID 60968027
N-[5-(4-cyanoanilino)-2-pyridinyl]-2,6-dimethoxybenzamide
CID 113037270
6-[(2-methyl-1,3-benzothiazol-6-yl)amino]pyridine-3-carbonitrile
CID 47150241
N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
CID 62354736
6-(quinolin-6-ylamino)pyridine-3-carbonitrile
CID 62634612

Frequently Asked Questions

What is the IUPAC name of 6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbonitrile (CID 24691649) is 6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbonitrile is COc1ccc(Nc2ccc(C#N)cn2)cn1.
What is the InChIKey of 6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbonitrile?
The InChIKey is LURIWSOSQWEOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-17-12-5-3-10(8-15-12)16-11-4-2-9(6-13)7-14-11/h2-5,7-8H,1H3,(H,14,16).
What are the key properties of 6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbonitrile?
6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbonitrile has a molecular weight of 226.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 24691649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).