2-[4-[(5-amino-6-propoxy-2-pyridinyl)amino]phenyl]acetonitrile

C16H18N4O — CID 62301180

IUPAC2-[4-[(5-amino-6-propoxy-2-pyridinyl)amino]phenyl]acetonitrile
SMILESCCCOc1nc(Nc2ccc(CC#N)cc2)ccc1N
InChIInChI=1S/C16H18N4O/c1-2-11-21-16-14(18)7-8-15(20-16)19-13-5-3-12(4-6-13)9-10-17/h3-8H,2,9,11,18H2,1H3,(H,19,20)
InChIKeyREXTXKQQOJSHAA-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.26
Rot. Bonds6

About 2-[4-[(5-amino-6-propoxy-2-pyridinyl)amino]phenyl]acetonitrile

2-[4-[(5-amino-6-propoxy-2-pyridinyl)amino]phenyl]acetonitrile (PubChem CID 62301180) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[4-[(5-amino-6-propoxy-2-pyridinyl)amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(5-amino-6-propoxy-2-pyridinyl)amino]phenyl]acetonitrile
PubChem CID62301180
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-[4-[(5-amino-6-propoxy-2-pyridinyl)amino]phenyl]acetonitrile
SMILESCCCOc1nc(Nc2ccc(CC#N)cc2)ccc1N
InChIInChI=1S/C16H18N4O/c1-2-11-21-16-14(18)7-8-15(20-16)19-13-5-3-12(4-6-13)9-10-17/h3-8H,2,9,11,18H2,1H3,(H,19,20)
InChIKeyREXTXKQQOJSHAA-UHFFFAOYSA-N
XLogP3.26
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-propoxy-2-N-thiophen-3-ylpyridine-2,5-diamine
CID 66351232
2-N-(4-butylphenyl)-6-ethoxypyridine-2,5-diamine
CID 43378425
2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine
CID 104775522
2-N-(4-ethylphenyl)-6-methoxypyridine-2,5-diamine
CID 43261633
2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile
CID 107802693
4-[(5-amino-6-propoxy-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 107807065
2-N-propan-2-yl-6-propoxypyridine-2,5-diamine
CID 43260874
6-ethoxy-2-N-phenylpyridine-2,5-diamine
CID 43261284
2-[4-[(3-amino-6-methoxy-2-pyridinyl)amino]phenyl]acetonitrile
CID 115320701
6-propoxy-2-N-(2-propylphenyl)pyridine-2,5-diamine
CID 63402851
2-N-cyclopropyl-6-propoxypyridine-2,5-diamine
CID 43260902
2-N-(2,4-dibromophenyl)-6-propoxypyridine-2,5-diamine
CID 63402975

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-amino-6-propoxy-2-pyridinyl)amino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(5-amino-6-propoxy-2-pyridinyl)amino]phenyl]acetonitrile (CID 62301180) is 2-[4-[(5-amino-6-propoxy-2-pyridinyl)amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(5-amino-6-propoxy-2-pyridinyl)amino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(5-amino-6-propoxy-2-pyridinyl)amino]phenyl]acetonitrile is CCCOc1nc(Nc2ccc(CC#N)cc2)ccc1N.
What is the InChIKey of 2-[4-[(5-amino-6-propoxy-2-pyridinyl)amino]phenyl]acetonitrile?
The InChIKey is REXTXKQQOJSHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-11-21-16-14(18)7-8-15(20-16)19-13-5-3-12(4-6-13)9-10-17/h3-8H,2,9,11,18H2,1H3,(H,19,20).
What are the key properties of 2-[4-[(5-amino-6-propoxy-2-pyridinyl)amino]phenyl]acetonitrile?
2-[4-[(5-amino-6-propoxy-2-pyridinyl)amino]phenyl]acetonitrile has a molecular weight of 282.35 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-amino-6-propoxy-2-pyridinyl)amino]phenyl]acetonitrile is sourced from PubChem (CID 62301180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).