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

C18H14N4 — CID 164912150

IUPAC2-[(4-methyl-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile
SMILESCc1ccnc(Nc2ncc(-c3ccccc3)cc2C#N)c1
InChIInChI=1S/C18H14N4/c1-13-7-8-20-17(9-13)22-18-15(11-19)10-16(12-21-18)14-5-3-2-4-6-14/h2-10,12H,1H3,(H,20,21,22)
InChIKeyKPXLRFJJEZFTJN-UHFFFAOYSA-N
MW286.34 g/mol
LogP4.07
Rot. Bonds3

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

2-[(4-methyl-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile (PubChem CID 164912150) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-[(4-methyl-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-methyl-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile
PubChem CID164912150
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name2-[(4-methyl-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile
SMILESCc1ccnc(Nc2ncc(-c3ccccc3)cc2C#N)c1
InChIInChI=1S/C18H14N4/c1-13-7-8-20-17(9-13)22-18-15(11-19)10-16(12-21-18)14-5-3-2-4-6-14/h2-10,12H,1H3,(H,20,21,22)
InChIKeyKPXLRFJJEZFTJN-UHFFFAOYSA-N
XLogP4.07
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-[(4-methyl-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile (CID 164912150) is 2-[(4-methyl-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4-methyl-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(4-methyl-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile is Cc1ccnc(Nc2ncc(-c3ccccc3)cc2C#N)c1.
What is the InChIKey of 2-[(4-methyl-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile?
The InChIKey is KPXLRFJJEZFTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-13-7-8-20-17(9-13)22-18-15(11-19)10-16(12-21-18)14-5-3-2-4-6-14/h2-10,12H,1H3,(H,20,21,22).
What are the key properties of 2-[(4-methyl-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile?
2-[(4-methyl-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile has a molecular weight of 286.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 164912150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).