2-amino-4-(1,3-thiazol-5-yl)-6-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile;formic acid

C19H18N4O5S — CID 171339703

IUPAC2-amino-4-(1,3-thiazol-5-yl)-6-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile;formic acid
SMILESCOc1ccc(-c2cc(-c3cncs3)c(C#N)c(N)n2)c(OC)c1OC.O=CO
InChIInChI=1S/C18H16N4O3S.CH2O2/c1-23-14-5-4-10(16(24-2)17(14)25-3)13-6-11(15-8-21-9-26-15)12(7-19)18(20)22-13;2-1-3/h4-6,8-9H,1-3H3,(H2,20,22);1H,(H,2,3)
InChIKeyPBVXFQHOPSLNTA-UHFFFAOYSA-N
MW414.44 g/mol
LogP3.05
Rot. Bonds5

About 2-amino-4-(1,3-thiazol-5-yl)-6-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile;formic acid

2-amino-4-(1,3-thiazol-5-yl)-6-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile;formic acid (PubChem CID 171339703) has the molecular formula C19H18N4O5S and a molecular weight of 414.44 g/mol. Its IUPAC name is 2-amino-4-(1,3-thiazol-5-yl)-6-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile;formic acid.

Molecular Properties

Compound Name2-amino-4-(1,3-thiazol-5-yl)-6-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile;formic acid
PubChem CID171339703
Molecular FormulaC19H18N4O5S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC Name2-amino-4-(1,3-thiazol-5-yl)-6-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile;formic acid
SMILESCOc1ccc(-c2cc(-c3cncs3)c(C#N)c(N)n2)c(OC)c1OC.O=CO
InChIInChI=1S/C18H16N4O3S.CH2O2/c1-23-14-5-4-10(16(24-2)17(14)25-3)13-6-11(15-8-21-9-26-15)12(7-19)18(20)22-13;2-1-3/h4-6,8-9H,1-3H3,(H2,20,22);1H,(H,2,3)
InChIKeyPBVXFQHOPSLNTA-UHFFFAOYSA-N
XLogP3.05
TPSA140.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(2-bromophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5117892
2-amino-6-(2,5-dimethylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3517156
2-amino-6-methoxy-4-(2,3,4-trimethoxyphenyl)pyridine-3,5-dicarbonitrile
CID 6491035
2-amino-6-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5230020
2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid
CID 171339557
2-amino-6-(3-fluorophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5118716
2-amino-4-(3,4-dimethoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 856280
2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 4636477
2-amino-6-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3395715
2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 70111563
2-amino-6-(4-methoxyphenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3375509
2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 136691533

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1,3-thiazol-5-yl)-6-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile;formic acid?
The IUPAC name of 2-amino-4-(1,3-thiazol-5-yl)-6-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile;formic acid (CID 171339703) is 2-amino-4-(1,3-thiazol-5-yl)-6-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile;formic acid.
What is the SMILES notation for 2-amino-4-(1,3-thiazol-5-yl)-6-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile;formic acid?
The canonical SMILES for 2-amino-4-(1,3-thiazol-5-yl)-6-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile;formic acid is COc1ccc(-c2cc(-c3cncs3)c(C#N)c(N)n2)c(OC)c1OC.O=CO.
What is the InChIKey of 2-amino-4-(1,3-thiazol-5-yl)-6-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile;formic acid?
The InChIKey is PBVXFQHOPSLNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S.CH2O2/c1-23-14-5-4-10(16(24-2)17(14)25-3)13-6-11(15-8-21-9-26-15)12(7-19)18(20)22-13;2-1-3/h4-6,8-9H,1-3H3,(H2,20,22);1H,(H,2,3).
What are the key properties of 2-amino-4-(1,3-thiazol-5-yl)-6-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile;formic acid?
2-amino-4-(1,3-thiazol-5-yl)-6-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile;formic acid has a molecular weight of 414.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1,3-thiazol-5-yl)-6-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile;formic acid is sourced from PubChem (CID 171339703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).