2-amino-4-(2,4-dimethoxyphenyl)-6-[4-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonitrile;formic acid

C24H26N4O5S — CID 171709796

IUPAC2-amino-4-(2,4-dimethoxyphenyl)-6-[4-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonitrile;formic acid
SMILESCOc1ccc(-c2cc(-c3cc(CN4CCOCC4)cs3)nc(N)c2C#N)c(OC)c1.O=CO
InChIInChI=1S/C23H24N4O3S.CH2O2/c1-28-16-3-4-17(21(10-16)29-2)18-11-20(26-23(25)19(18)12-24)22-9-15(14-31-22)13-27-5-7-30-8-6-27;2-1-3/h3-4,9-11,14H,5-8,13H2,1-2H3,(H2,25,26);1H,(H,2,3)
InChIKeyZKVWKERUFJSWJT-UHFFFAOYSA-N
MW482.56 g/mol
LogP3.48
Rot. Bonds6

About 2-amino-4-(2,4-dimethoxyphenyl)-6-[4-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonitrile;formic acid

2-amino-4-(2,4-dimethoxyphenyl)-6-[4-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonitrile;formic acid (PubChem CID 171709796) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is 2-amino-4-(2,4-dimethoxyphenyl)-6-[4-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonitrile;formic acid.

Molecular Properties

Compound Name2-amino-4-(2,4-dimethoxyphenyl)-6-[4-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonitrile;formic acid
PubChem CID171709796
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC Name2-amino-4-(2,4-dimethoxyphenyl)-6-[4-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonitrile;formic acid
SMILESCOc1ccc(-c2cc(-c3cc(CN4CCOCC4)cs3)nc(N)c2C#N)c(OC)c1.O=CO
InChIInChI=1S/C23H24N4O3S.CH2O2/c1-28-16-3-4-17(21(10-16)29-2)18-11-20(26-23(25)19(18)12-24)22-9-15(14-31-22)13-27-5-7-30-8-6-27;2-1-3/h3-4,9-11,14H,5-8,13H2,1-2H3,(H2,25,26);1H,(H,2,3)
InChIKeyZKVWKERUFJSWJT-UHFFFAOYSA-N
XLogP3.48
TPSA130.93 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 53.48
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-4-(2,4-dimethoxyphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 166594866
2-amino-4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile
CID 135496405
2-amino-4-(2,5-dimethoxyphenyl)-6-(4-propylphenyl)pyridine-3-carbonitrile
CID 5088045
3-methoxy-4-[4-(morpholin-4-ylmethyl)phenyl]aniline
CID 39233712
3-[6-amino-5-cyano-4-[4-(piperidin-1-ylmethyl)thiophen-2-yl]-2-pyridinyl]butanoic acid
CID 171385428
N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809737
2-amino-6-(4-methoxyphenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3375509
2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 2996444
N-(2,5-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1106324
2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547700
2,4-diamino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile
CID 169396460
N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride
CID 17216121

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dimethoxyphenyl)-6-[4-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonitrile;formic acid?
The IUPAC name of 2-amino-4-(2,4-dimethoxyphenyl)-6-[4-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonitrile;formic acid (CID 171709796) is 2-amino-4-(2,4-dimethoxyphenyl)-6-[4-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonitrile;formic acid.
What is the SMILES notation for 2-amino-4-(2,4-dimethoxyphenyl)-6-[4-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonitrile;formic acid?
The canonical SMILES for 2-amino-4-(2,4-dimethoxyphenyl)-6-[4-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonitrile;formic acid is COc1ccc(-c2cc(-c3cc(CN4CCOCC4)cs3)nc(N)c2C#N)c(OC)c1.O=CO.
What is the InChIKey of 2-amino-4-(2,4-dimethoxyphenyl)-6-[4-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonitrile;formic acid?
The InChIKey is ZKVWKERUFJSWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S.CH2O2/c1-28-16-3-4-17(21(10-16)29-2)18-11-20(26-23(25)19(18)12-24)22-9-15(14-31-22)13-27-5-7-30-8-6-27;2-1-3/h3-4,9-11,14H,5-8,13H2,1-2H3,(H2,25,26);1H,(H,2,3).
What are the key properties of 2-amino-4-(2,4-dimethoxyphenyl)-6-[4-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonitrile;formic acid?
2-amino-4-(2,4-dimethoxyphenyl)-6-[4-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonitrile;formic acid has a molecular weight of 482.56 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dimethoxyphenyl)-6-[4-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonitrile;formic acid is sourced from PubChem (CID 171709796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).