2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile

C16H18N4O — CID 107802693

IUPAC2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile
SMILESCCCOc1nc(Nc2cccc(C)c2C#N)ccc1N
InChIInChI=1S/C16H18N4O/c1-3-9-21-16-13(18)7-8-15(20-16)19-14-6-4-5-11(2)12(14)10-17/h4-8H,3,9,18H2,1-2H3,(H,19,20)
InChIKeyOPOMZUWWZNWWAA-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.38
Rot. Bonds5

About 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile

2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile (PubChem CID 107802693) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile.

Molecular Properties

Compound Name2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile
PubChem CID107802693
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile
SMILESCCCOc1nc(Nc2cccc(C)c2C#N)ccc1N
InChIInChI=1S/C16H18N4O/c1-3-9-21-16-13(18)7-8-15(20-16)19-14-6-4-5-11(2)12(14)10-17/h4-8H,3,9,18H2,1-2H3,(H,19,20)
InChIKeyOPOMZUWWZNWWAA-UHFFFAOYSA-N
XLogP3.38
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile?
The IUPAC name of 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile (CID 107802693) is 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile.
What is the SMILES notation for 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile?
The canonical SMILES for 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile is CCCOc1nc(Nc2cccc(C)c2C#N)ccc1N.
What is the InChIKey of 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile?
The InChIKey is OPOMZUWWZNWWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-9-21-16-13(18)7-8-15(20-16)19-14-6-4-5-11(2)12(14)10-17/h4-8H,3,9,18H2,1-2H3,(H,19,20).
What are the key properties of 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile?
2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile has a molecular weight of 282.35 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile is sourced from PubChem (CID 107802693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).