4-amino-6-[4-(2,6-dimethyl-4-pyridinyl)anilino]-2-ethoxypyridine-3-carbonitrile

C21H21N5O — CID 70924880

IUPAC4-amino-6-[4-(2,6-dimethyl-4-pyridinyl)anilino]-2-ethoxypyridine-3-carbonitrile
SMILESCCOc1nc(Nc2ccc(-c3cc(C)nc(C)c3)cc2)cc(N)c1C#N
InChIInChI=1S/C21H21N5O/c1-4-27-21-18(12-22)19(23)11-20(26-21)25-17-7-5-15(6-8-17)16-9-13(2)24-14(3)10-16/h5-11H,4H2,1-3H3,(H3,23,25,26)
InChIKeyZMSAPVRJHOFUMF-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.36
Rot. Bonds5

About 4-amino-6-[4-(2,6-dimethyl-4-pyridinyl)anilino]-2-ethoxypyridine-3-carbonitrile

4-amino-6-[4-(2,6-dimethyl-4-pyridinyl)anilino]-2-ethoxypyridine-3-carbonitrile (PubChem CID 70924880) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-amino-6-[4-(2,6-dimethyl-4-pyridinyl)anilino]-2-ethoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[4-(2,6-dimethyl-4-pyridinyl)anilino]-2-ethoxypyridine-3-carbonitrile
PubChem CID70924880
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name4-amino-6-[4-(2,6-dimethyl-4-pyridinyl)anilino]-2-ethoxypyridine-3-carbonitrile
SMILESCCOc1nc(Nc2ccc(-c3cc(C)nc(C)c3)cc2)cc(N)c1C#N
InChIInChI=1S/C21H21N5O/c1-4-27-21-18(12-22)19(23)11-20(26-21)25-17-7-5-15(6-8-17)16-9-13(2)24-14(3)10-16/h5-11H,4H2,1-3H3,(H3,23,25,26)
InChIKeyZMSAPVRJHOFUMF-UHFFFAOYSA-N
XLogP4.36
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[4-(2,6-dimethyl-4-pyridinyl)anilino]-2-ethoxypyridine-3-carbonitrile?
The IUPAC name of 4-amino-6-[4-(2,6-dimethyl-4-pyridinyl)anilino]-2-ethoxypyridine-3-carbonitrile (CID 70924880) is 4-amino-6-[4-(2,6-dimethyl-4-pyridinyl)anilino]-2-ethoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-6-[4-(2,6-dimethyl-4-pyridinyl)anilino]-2-ethoxypyridine-3-carbonitrile?
The canonical SMILES for 4-amino-6-[4-(2,6-dimethyl-4-pyridinyl)anilino]-2-ethoxypyridine-3-carbonitrile is CCOc1nc(Nc2ccc(-c3cc(C)nc(C)c3)cc2)cc(N)c1C#N.
What is the InChIKey of 4-amino-6-[4-(2,6-dimethyl-4-pyridinyl)anilino]-2-ethoxypyridine-3-carbonitrile?
The InChIKey is ZMSAPVRJHOFUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-4-27-21-18(12-22)19(23)11-20(26-21)25-17-7-5-15(6-8-17)16-9-13(2)24-14(3)10-16/h5-11H,4H2,1-3H3,(H3,23,25,26).
What are the key properties of 4-amino-6-[4-(2,6-dimethyl-4-pyridinyl)anilino]-2-ethoxypyridine-3-carbonitrile?
4-amino-6-[4-(2,6-dimethyl-4-pyridinyl)anilino]-2-ethoxypyridine-3-carbonitrile has a molecular weight of 359.43 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[4-(2,6-dimethyl-4-pyridinyl)anilino]-2-ethoxypyridine-3-carbonitrile is sourced from PubChem (CID 70924880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).