5-amino-2-(5-cyano-2-methylanilino)pyridine-3-carbonitrile

C14H11N5 — CID 62103720

IUPAC5-amino-2-(5-cyano-2-methylanilino)pyridine-3-carbonitrile
SMILESCc1ccc(C#N)cc1Nc1ncc(N)cc1C#N
InChIInChI=1S/C14H11N5/c1-9-2-3-10(6-15)4-13(9)19-14-11(7-16)5-12(17)8-18-14/h2-5,8H,17H2,1H3,(H,18,19)
InChIKeyXMWSAXLZWJFGKS-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.46
Rot. Bonds2

About 5-amino-2-(5-cyano-2-methylanilino)pyridine-3-carbonitrile

5-amino-2-(5-cyano-2-methylanilino)pyridine-3-carbonitrile (PubChem CID 62103720) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 5-amino-2-(5-cyano-2-methylanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(5-cyano-2-methylanilino)pyridine-3-carbonitrile
PubChem CID62103720
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name5-amino-2-(5-cyano-2-methylanilino)pyridine-3-carbonitrile
SMILESCc1ccc(C#N)cc1Nc1ncc(N)cc1C#N
InChIInChI=1S/C14H11N5/c1-9-2-3-10(6-15)4-13(9)19-14-11(7-16)5-12(17)8-18-14/h2-5,8H,17H2,1H3,(H,18,19)
InChIKeyXMWSAXLZWJFGKS-UHFFFAOYSA-N
XLogP2.46
TPSA98.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-aminopyrimidin-4-yl)amino]-4-methylbenzonitrile
CID 79917359
5-amino-2-(2,5-dichloro-4-methylanilino)pyridine-3-carbonitrile
CID 104725902
5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carbonitrile
CID 103584541
5-amino-2-(4-bromo-3-methylanilino)pyridine-3-carbonitrile
CID 54938559
5-amino-2-(2,4-dichloroanilino)pyridine-3-carbonitrile
CID 54938417
5-amino-2-(2-iodoanilino)pyridine-3-carbonitrile
CID 54860710
3-[(4-amino-5-methyl-2-pyridinyl)amino]-4-methylbenzonitrile
CID 83266542
5-amino-2-(2,4-dibromoanilino)pyridine-3-carbonitrile
CID 54952819
5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 54860679
3-[(3-amino-6-chloro-2-pyridinyl)amino]-4-methylbenzonitrile
CID 115474055
5-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile
CID 54938370
8-amino-6-(5-cyano-2-methylanilino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 70958008

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-cyano-2-methylanilino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(5-cyano-2-methylanilino)pyridine-3-carbonitrile (CID 62103720) is 5-amino-2-(5-cyano-2-methylanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(5-cyano-2-methylanilino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(5-cyano-2-methylanilino)pyridine-3-carbonitrile is Cc1ccc(C#N)cc1Nc1ncc(N)cc1C#N.
What is the InChIKey of 5-amino-2-(5-cyano-2-methylanilino)pyridine-3-carbonitrile?
The InChIKey is XMWSAXLZWJFGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-9-2-3-10(6-15)4-13(9)19-14-11(7-16)5-12(17)8-18-14/h2-5,8H,17H2,1H3,(H,18,19).
What are the key properties of 5-amino-2-(5-cyano-2-methylanilino)pyridine-3-carbonitrile?
5-amino-2-(5-cyano-2-methylanilino)pyridine-3-carbonitrile has a molecular weight of 249.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5-cyano-2-methylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 62103720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).