3-[4-(cyclobutanecarbonylamino)thiophen-2-yl]-5-(3,4-dimethoxyphenyl)pyridine-4-carboxamide

C23H23N3O4S — CID 170178111

IUPAC3-[4-(cyclobutanecarbonylamino)thiophen-2-yl]-5-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(-c2cncc(-c3cc(NC(=O)C4CCC4)cs3)c2C(N)=O)cc1OC
InChIInChI=1S/C23H23N3O4S/c1-29-18-7-6-14(8-19(18)30-2)16-10-25-11-17(21(16)22(24)27)20-9-15(12-31-20)26-23(28)13-4-3-5-13/h6-13H,3-5H2,1-2H3,(H2,24,27)(H,26,28)
InChIKeyQVJXYPIMAUEQFQ-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.33
Rot. Bonds7

About 3-[4-(cyclobutanecarbonylamino)thiophen-2-yl]-5-(3,4-dimethoxyphenyl)pyridine-4-carboxamide

3-[4-(cyclobutanecarbonylamino)thiophen-2-yl]-5-(3,4-dimethoxyphenyl)pyridine-4-carboxamide (PubChem CID 170178111) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is 3-[4-(cyclobutanecarbonylamino)thiophen-2-yl]-5-(3,4-dimethoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-[4-(cyclobutanecarbonylamino)thiophen-2-yl]-5-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
PubChem CID170178111
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name3-[4-(cyclobutanecarbonylamino)thiophen-2-yl]-5-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(-c2cncc(-c3cc(NC(=O)C4CCC4)cs3)c2C(N)=O)cc1OC
InChIInChI=1S/C23H23N3O4S/c1-29-18-7-6-14(8-19(18)30-2)16-10-25-11-17(21(16)22(24)27)20-9-15(12-31-20)26-23(28)13-4-3-5-13/h6-13H,3-5H2,1-2H3,(H2,24,27)(H,26,28)
InChIKeyQVJXYPIMAUEQFQ-UHFFFAOYSA-N
XLogP4.33
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclopropanecarboxamide
CID 170178372
N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclobutanecarboxamide
CID 170178381
ethyl 2-(cyclohexanecarbonylamino)-4-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxylate
CID 2946707
N-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide
CID 42693768
N-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide
CID 42693785
N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
CID 3502281
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 18584049
N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42685663
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
N-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113028985
N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide
CID 155537883
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclobutanecarbonylamino)thiophen-2-yl]-5-(3,4-dimethoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 3-[4-(cyclobutanecarbonylamino)thiophen-2-yl]-5-(3,4-dimethoxyphenyl)pyridine-4-carboxamide (CID 170178111) is 3-[4-(cyclobutanecarbonylamino)thiophen-2-yl]-5-(3,4-dimethoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-[4-(cyclobutanecarbonylamino)thiophen-2-yl]-5-(3,4-dimethoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-[4-(cyclobutanecarbonylamino)thiophen-2-yl]-5-(3,4-dimethoxyphenyl)pyridine-4-carboxamide is COc1ccc(-c2cncc(-c3cc(NC(=O)C4CCC4)cs3)c2C(N)=O)cc1OC.
What is the InChIKey of 3-[4-(cyclobutanecarbonylamino)thiophen-2-yl]-5-(3,4-dimethoxyphenyl)pyridine-4-carboxamide?
The InChIKey is QVJXYPIMAUEQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-29-18-7-6-14(8-19(18)30-2)16-10-25-11-17(21(16)22(24)27)20-9-15(12-31-20)26-23(28)13-4-3-5-13/h6-13H,3-5H2,1-2H3,(H2,24,27)(H,26,28).
What are the key properties of 3-[4-(cyclobutanecarbonylamino)thiophen-2-yl]-5-(3,4-dimethoxyphenyl)pyridine-4-carboxamide?
3-[4-(cyclobutanecarbonylamino)thiophen-2-yl]-5-(3,4-dimethoxyphenyl)pyridine-4-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclobutanecarbonylamino)thiophen-2-yl]-5-(3,4-dimethoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 170178111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).