3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide

C13H14BrN3O2S — CID 63172401

IUPAC3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide
SMILESCOc1nccc(N(C)C)c1NC(=O)c1sccc1Br
InChIInChI=1S/C13H14BrN3O2S/c1-17(2)9-4-6-15-13(19-3)10(9)16-12(18)11-8(14)5-7-20-11/h4-7H,1-3H3,(H,16,18)
InChIKeyVOVGURVZDAFLAK-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.23
Rot. Bonds4

About 3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide

3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 63172401) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide
PubChem CID63172401
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide
SMILESCOc1nccc(N(C)C)c1NC(=O)c1sccc1Br
InChIInChI=1S/C13H14BrN3O2S/c1-17(2)9-4-6-15-13(19-3)10(9)16-12(18)11-8(14)5-7-20-11/h4-7H,1-3H3,(H,16,18)
InChIKeyVOVGURVZDAFLAK-UHFFFAOYSA-N
XLogP3.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide
CID 61456047
4-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-1-methylpyrrole-2-carboxamide
CID 60955985
2-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-4-carboxamide
CID 60779013
6-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-3-carboxamide
CID 60779060
N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-2-methyl-2-(methylamino)propanamide
CID 62836562
(E)-4-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]-4-oxobut-2-enoic acid
CID 54867953
2-cyclopropyl-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]propanamide
CID 75376281
2-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]propanoic acid
CID 66174302
2-amino-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pentanamide
CID 43701419
1-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-3-(1-hydroxybutan-2-yl)urea
CID 75449648
2-methoxy-4-N,4-N-dimethyl-3-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-3,4-diamine
CID 43779993
3-bromo-N-(1-methylimidazol-2-yl)thiophene-2-carboxamide
CID 131043350

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide (CID 63172401) is 3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide is COc1nccc(N(C)C)c1NC(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is VOVGURVZDAFLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-17(2)9-4-6-15-13(19-3)10(9)16-12(18)11-8(14)5-7-20-11/h4-7H,1-3H3,(H,16,18).
What are the key properties of 3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide?
3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 356.25 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 63172401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).