2-[4-[(3-amino-6-methoxy-2-pyridinyl)amino]phenyl]acetonitrile

C14H14N4O — CID 115320701

IUPAC2-[4-[(3-amino-6-methoxy-2-pyridinyl)amino]phenyl]acetonitrile
SMILESCOc1ccc(N)c(Nc2ccc(CC#N)cc2)n1
InChIInChI=1S/C14H14N4O/c1-19-13-7-6-12(16)14(18-13)17-11-4-2-10(3-5-11)8-9-15/h2-7H,8,16H2,1H3,(H,17,18)
InChIKeyDVFWTKFNLTVBHA-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.48
Rot. Bonds4

About 2-[4-[(3-amino-6-methoxy-2-pyridinyl)amino]phenyl]acetonitrile

2-[4-[(3-amino-6-methoxy-2-pyridinyl)amino]phenyl]acetonitrile (PubChem CID 115320701) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[4-[(3-amino-6-methoxy-2-pyridinyl)amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(3-amino-6-methoxy-2-pyridinyl)amino]phenyl]acetonitrile
PubChem CID115320701
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-[4-[(3-amino-6-methoxy-2-pyridinyl)amino]phenyl]acetonitrile
SMILESCOc1ccc(N)c(Nc2ccc(CC#N)cc2)n1
InChIInChI=1S/C14H14N4O/c1-19-13-7-6-12(16)14(18-13)17-11-4-2-10(3-5-11)8-9-15/h2-7H,8,16H2,1H3,(H,17,18)
InChIKeyDVFWTKFNLTVBHA-UHFFFAOYSA-N
XLogP2.48
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-aminoanilino)phenyl]acetonitrile
CID 62302194
2-N-(3,5-difluorophenyl)-6-methoxypyridine-2,3-diamine
CID 115320365
2-N-(3,5-dichlorophenyl)-6-methoxypyridine-2,3-diamine
CID 113286388
4-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxybenzonitrile
CID 104847934
2-[4-[4-(cyanomethyl)anilino]phenyl]acetonitrile
CID 170886404
2-[4-[(5-amino-6-propoxy-2-pyridinyl)amino]phenyl]acetonitrile
CID 62301180
6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine
CID 115320291
2-N-(1,3-benzodioxol-5-yl)-6-methoxypyridine-2,3-diamine
CID 115320313
2-[4-[(5-aminopyrimidin-2-yl)amino]phenyl]acetonitrile
CID 62303544
6-methoxy-2-N-methylpyridine-2,3-diamine;hydrochloride
CID 22731600
6-methoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,3-diamine
CID 113286378
6-methoxy-2-N-quinolin-6-ylpyridine-2,3-diamine
CID 115320727

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-amino-6-methoxy-2-pyridinyl)amino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(3-amino-6-methoxy-2-pyridinyl)amino]phenyl]acetonitrile (CID 115320701) is 2-[4-[(3-amino-6-methoxy-2-pyridinyl)amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(3-amino-6-methoxy-2-pyridinyl)amino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(3-amino-6-methoxy-2-pyridinyl)amino]phenyl]acetonitrile is COc1ccc(N)c(Nc2ccc(CC#N)cc2)n1.
What is the InChIKey of 2-[4-[(3-amino-6-methoxy-2-pyridinyl)amino]phenyl]acetonitrile?
The InChIKey is DVFWTKFNLTVBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-19-13-7-6-12(16)14(18-13)17-11-4-2-10(3-5-11)8-9-15/h2-7H,8,16H2,1H3,(H,17,18).
What are the key properties of 2-[4-[(3-amino-6-methoxy-2-pyridinyl)amino]phenyl]acetonitrile?
2-[4-[(3-amino-6-methoxy-2-pyridinyl)amino]phenyl]acetonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-amino-6-methoxy-2-pyridinyl)amino]phenyl]acetonitrile is sourced from PubChem (CID 115320701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).