2-[(4-methoxy-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile

C18H14N4O — CID 164912181

IUPAC2-[(4-methoxy-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile
SMILESCOc1ccnc(Nc2ncc(-c3ccccc3)cc2C#N)c1
InChIInChI=1S/C18H14N4O/c1-23-16-7-8-20-17(10-16)22-18-14(11-19)9-15(12-21-18)13-5-3-2-4-6-13/h2-10,12H,1H3,(H,20,21,22)
InChIKeyZQKKRSJXZMTQGZ-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.77
Rot. Bonds4

About 2-[(4-methoxy-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile

2-[(4-methoxy-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile (PubChem CID 164912181) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[(4-methoxy-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-methoxy-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile
PubChem CID164912181
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name2-[(4-methoxy-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile
SMILESCOc1ccnc(Nc2ncc(-c3ccccc3)cc2C#N)c1
InChIInChI=1S/C18H14N4O/c1-23-16-7-8-20-17(10-16)22-18-14(11-19)9-15(12-21-18)13-5-3-2-4-6-13/h2-10,12H,1H3,(H,20,21,22)
InChIKeyZQKKRSJXZMTQGZ-UHFFFAOYSA-N
XLogP3.77
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-[(4-methoxy-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile (CID 164912181) is 2-[(4-methoxy-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4-methoxy-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(4-methoxy-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile is COc1ccnc(Nc2ncc(-c3ccccc3)cc2C#N)c1.
What is the InChIKey of 2-[(4-methoxy-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile?
The InChIKey is ZQKKRSJXZMTQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-23-16-7-8-20-17(10-16)22-18-14(11-19)9-15(12-21-18)13-5-3-2-4-6-13/h2-10,12H,1H3,(H,20,21,22).
What are the key properties of 2-[(4-methoxy-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile?
2-[(4-methoxy-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile has a molecular weight of 302.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 164912181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).