5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile

C12H10N4O — CID 115487437

IUPAC5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
SMILESCOc1ccc(Nc2ccc(C#N)nc2)cn1
InChIInChI=1S/C12H10N4O/c1-17-12-5-4-11(8-15-12)16-10-3-2-9(6-13)14-7-10/h2-5,7-8,16H,1H3
InChIKeyUOPFMQOXSSJDKJ-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.10
Rot. Bonds3

About 5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile

5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile (PubChem CID 115487437) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
PubChem CID115487437
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
SMILESCOc1ccc(Nc2ccc(C#N)nc2)cn1
InChIInChI=1S/C12H10N4O/c1-17-12-5-4-11(8-15-12)16-10-3-2-9(6-13)14-7-10/h2-5,7-8,16H,1H3
InChIKeyUOPFMQOXSSJDKJ-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

5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 115487418
6-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 64590247
6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbonitrile
CID 24691649
2-[(6-methoxy-3-pyridinyl)amino]-6-methylpyridine-4-carbonitrile
CID 114765734
5-(2-methoxy-5-methylanilino)pyridine-2-carbonitrile
CID 115487429
5-(3,4-dichloroanilino)pyridine-2-carbonitrile
CID 113320534
(6-methoxy-3-pyridinyl)hydrazine;hydrochloride
CID 23090203
2-[(6-methoxy-3-pyridinyl)amino]-5-nitrobenzonitrile
CID 9282965
N-(6-methoxy-3-pyridinyl)methanethioamide
CID 142077348
5-[(5-bromopyrimidin-2-yl)amino]pyridine-2-carbonitrile
CID 134512316
5-[(1-methoxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 103989784
N-(6-cyano-3-pyridinyl)acetamide
CID 59578592

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile (CID 115487437) is 5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile is COc1ccc(Nc2ccc(C#N)nc2)cn1.
What is the InChIKey of 5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile?
The InChIKey is UOPFMQOXSSJDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-17-12-5-4-11(8-15-12)16-10-3-2-9(6-13)14-7-10/h2-5,7-8,16H,1H3.
What are the key properties of 5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile?
5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-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 5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 115487437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).