4-(dimethylamino)-N-[(3E,5Z)-7-methoxyhepta-1,3,5-trien-4-yl]thieno[2,3-b]pyridine-2-carboxamide

C18H21N3O2S — CID 143159947

IUPAC4-(dimethylamino)-N-[(3E,5Z)-7-methoxyhepta-1,3,5-trien-4-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESC=C/C=C(\C=C/COC)NC(=O)c1cc2c(N(C)C)ccnc2s1
InChIInChI=1S/C18H21N3O2S/c1-5-7-13(8-6-11-23-4)20-17(22)16-12-14-15(21(2)3)9-10-19-18(14)24-16/h5-10,12H,1,11H2,2-4H3,(H,20,22)/b8-6-,13-7+
InChIKeyIMWCPQLRUBWAIJ-WNDPTYLVSA-N
MW343.45 g/mol
LogP3.36
Rot. Bonds7

About 4-(dimethylamino)-N-[(3E,5Z)-7-methoxyhepta-1,3,5-trien-4-yl]thieno[2,3-b]pyridine-2-carboxamide

4-(dimethylamino)-N-[(3E,5Z)-7-methoxyhepta-1,3,5-trien-4-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 143159947) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(3E,5Z)-7-methoxyhepta-1,3,5-trien-4-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(3E,5Z)-7-methoxyhepta-1,3,5-trien-4-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID143159947
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name4-(dimethylamino)-N-[(3E,5Z)-7-methoxyhepta-1,3,5-trien-4-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESC=C/C=C(\C=C/COC)NC(=O)c1cc2c(N(C)C)ccnc2s1
InChIInChI=1S/C18H21N3O2S/c1-5-7-13(8-6-11-23-4)20-17(22)16-12-14-15(21(2)3)9-10-19-18(14)24-16/h5-10,12H,1,11H2,2-4H3,(H,20,22)/b8-6-,13-7+
InChIKeyIMWCPQLRUBWAIJ-WNDPTYLVSA-N
XLogP3.36
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)thieno[2,3-b]pyridine-2-carbaldehyde;methanamine;methoxymethane
CID 143159716
acetylene;N-methanimidoyl-4-(2-methoxyethylamino)-N-[(E)-prop-1-enyl]thieno[2,3-b]pyridine-2-carboxamide;(Z)-1-methoxypent-2-ene
CID 143488117
ethane;N'-methyl-N-[(2Z,5Z)-5-methylhepta-2,5-dienyl]-N-[2-[4-[methyl(prop-2-enyl)amino]thieno[2,3-b]pyridin-2-yl]-2-oxoethyl]methanimidamide
CID 143160020
methyl 4-(dimethylamino)-3-(1-methoxyethenyl)thieno[2,3-b]pyridine-2-carboxylate
CID 58837094
(E)-4-methoxy-N-(1,3-thiazol-2-yl)but-2-enamide
CID 131235420
(4-methoxyphenyl) (2E)-2-[(Z)-3-methoxyprop-1-enyl]penta-2,4-dienoate
CID 143163540
(3Z,5Z)-7-methoxy-4-methylhepta-1,3,5-triene
CID 89381358
N,N-dimethyl-1,8-naphthyridin-4-amine;methyl 2-methyl-2-thiophen-2-ylpropanoate
CID 174330342
but-1-ene;4-(dimethylamino)-6-ethyl-N-methanimidoyl-N-[(2E)-penta-2,4-dien-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 143487681
4-(dimethylamino)thieno[2,3-b]pyridine-2-carbaldehyde;4,4-dimethylpent-1-ene;ethane;N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide
CID 143159819
CID 59303618
CID 59303618
1-[4-(dimethylamino)-3-pyridinyl]prop-2-en-1-one
CID 175080567

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(3E,5Z)-7-methoxyhepta-1,3,5-trien-4-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-[(3E,5Z)-7-methoxyhepta-1,3,5-trien-4-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 143159947) is 4-(dimethylamino)-N-[(3E,5Z)-7-methoxyhepta-1,3,5-trien-4-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(3E,5Z)-7-methoxyhepta-1,3,5-trien-4-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-[(3E,5Z)-7-methoxyhepta-1,3,5-trien-4-yl]thieno[2,3-b]pyridine-2-carboxamide is C=C/C=C(\C=C/COC)NC(=O)c1cc2c(N(C)C)ccnc2s1.
What is the InChIKey of 4-(dimethylamino)-N-[(3E,5Z)-7-methoxyhepta-1,3,5-trien-4-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is IMWCPQLRUBWAIJ-WNDPTYLVSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-5-7-13(8-6-11-23-4)20-17(22)16-12-14-15(21(2)3)9-10-19-18(14)24-16/h5-10,12H,1,11H2,2-4H3,(H,20,22)/b8-6-,13-7+.
What are the key properties of 4-(dimethylamino)-N-[(3E,5Z)-7-methoxyhepta-1,3,5-trien-4-yl]thieno[2,3-b]pyridine-2-carboxamide?
4-(dimethylamino)-N-[(3E,5Z)-7-methoxyhepta-1,3,5-trien-4-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(3E,5Z)-7-methoxyhepta-1,3,5-trien-4-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 143159947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).