4-[(2-amino-3-pyridinyl)amino]-3-methoxybenzonitrile

C13H12N4O — CID 104847940

IUPAC4-[(2-amino-3-pyridinyl)amino]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1Nc1cccnc1N
InChIInChI=1S/C13H12N4O/c1-18-12-7-9(8-14)4-5-10(12)17-11-3-2-6-16-13(11)15/h2-7,17H,1H3,(H2,15,16)
InChIKeyHCCJERSDFHONQY-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.29
Rot. Bonds3

About 4-[(2-amino-3-pyridinyl)amino]-3-methoxybenzonitrile

4-[(2-amino-3-pyridinyl)amino]-3-methoxybenzonitrile (PubChem CID 104847940) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-[(2-amino-3-pyridinyl)amino]-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-[(2-amino-3-pyridinyl)amino]-3-methoxybenzonitrile
PubChem CID104847940
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-[(2-amino-3-pyridinyl)amino]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1Nc1cccnc1N
InChIInChI=1S/C13H12N4O/c1-18-12-7-9(8-14)4-5-10(12)17-11-3-2-6-16-13(11)15/h2-7,17H,1H3,(H2,15,16)
InChIKeyHCCJERSDFHONQY-UHFFFAOYSA-N
XLogP2.29
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-aminoanilino)-3-methoxybenzonitrile
CID 104847876
4-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methoxybenzonitrile
CID 104850224
4-(2-amino-4-methylanilino)-3-methoxybenzonitrile
CID 104847906
4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile
CID 16781104
4-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxybenzonitrile
CID 104847934
4-hydrazinyl-3-methoxybenzonitrile
CID 53404328
ethane;3-methoxy-4-(methylamino)benzonitrile
CID 176701430
4-(3,4-diaminoanilino)-3-methoxybenzonitrile
CID 106751142
3-[(4-cyano-2-methoxyanilino)methyl]pyridine-2-carbonitrile
CID 104848705
4-hydrazinyl-3-methoxybenzonitrile;hydrochloride
CID 53404327
4-(4-amino-2,6-difluoroanilino)-3-methoxybenzonitrile
CID 104847878
4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methoxybenzonitrile
CID 114400407

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-pyridinyl)amino]-3-methoxybenzonitrile?
The IUPAC name of 4-[(2-amino-3-pyridinyl)amino]-3-methoxybenzonitrile (CID 104847940) is 4-[(2-amino-3-pyridinyl)amino]-3-methoxybenzonitrile.
What is the SMILES notation for 4-[(2-amino-3-pyridinyl)amino]-3-methoxybenzonitrile?
The canonical SMILES for 4-[(2-amino-3-pyridinyl)amino]-3-methoxybenzonitrile is COc1cc(C#N)ccc1Nc1cccnc1N.
What is the InChIKey of 4-[(2-amino-3-pyridinyl)amino]-3-methoxybenzonitrile?
The InChIKey is HCCJERSDFHONQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-18-12-7-9(8-14)4-5-10(12)17-11-3-2-6-16-13(11)15/h2-7,17H,1H3,(H2,15,16).
What are the key properties of 4-[(2-amino-3-pyridinyl)amino]-3-methoxybenzonitrile?
4-[(2-amino-3-pyridinyl)amino]-3-methoxybenzonitrile has a molecular weight of 240.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-pyridinyl)amino]-3-methoxybenzonitrile is sourced from PubChem (CID 104847940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).