methyl 3-(cyclopropanecarbonylamino)-6-[[methyl-[(1R)-1-thiophen-2-ylethyl]amino]methyl]thieno[2,3-b]pyridine-2-carboxylate

C21H23N3O3S2 — CID 42484353

IUPACmethyl 3-(cyclopropanecarbonylamino)-6-[[methyl-[(1R)-1-thiophen-2-ylethyl]amino]methyl]thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc(CN(C)[C@H](C)c3cccs3)ccc2c1NC(=O)C1CC1
InChIInChI=1S/C21H23N3O3S2/c1-12(16-5-4-10-28-16)24(2)11-14-8-9-15-17(23-19(25)13-6-7-13)18(21(26)27-3)29-20(15)22-14/h4-5,8-10,12-13H,6-7,11H2,1-3H3,(H,23,25)/t12-/m1/s1
InChIKeyFNRVHCPXWOJGQS-GFCCVEGCSA-N
MW429.57 g/mol
LogP4.69
Rot. Bonds7

About methyl 3-(cyclopropanecarbonylamino)-6-[[methyl-[(1R)-1-thiophen-2-ylethyl]amino]methyl]thieno[2,3-b]pyridine-2-carboxylate

methyl 3-(cyclopropanecarbonylamino)-6-[[methyl-[(1R)-1-thiophen-2-ylethyl]amino]methyl]thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 42484353) has the molecular formula C21H23N3O3S2 and a molecular weight of 429.57 g/mol. Its IUPAC name is methyl 3-(cyclopropanecarbonylamino)-6-[[methyl-[(1R)-1-thiophen-2-ylethyl]amino]methyl]thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(cyclopropanecarbonylamino)-6-[[methyl-[(1R)-1-thiophen-2-ylethyl]amino]methyl]thieno[2,3-b]pyridine-2-carboxylate
PubChem CID42484353
Molecular FormulaC21H23N3O3S2
Molecular Weight429.57 g/mol
Exact Mass429.12
IUPAC Namemethyl 3-(cyclopropanecarbonylamino)-6-[[methyl-[(1R)-1-thiophen-2-ylethyl]amino]methyl]thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc(CN(C)[C@H](C)c3cccs3)ccc2c1NC(=O)C1CC1
InChIInChI=1S/C21H23N3O3S2/c1-12(16-5-4-10-28-16)24(2)11-14-8-9-15-17(23-19(25)13-6-7-13)18(21(26)27-3)29-20(15)22-14/h4-5,8-10,12-13H,6-7,11H2,1-3H3,(H,23,25)/t12-/m1/s1
InChIKeyFNRVHCPXWOJGQS-GFCCVEGCSA-N
XLogP4.69
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-(cyclopropanecarbonylamino)-6-[[methyl-[(1R)-1-thiophen-2-ylethyl]amino]methyl]thieno[2,3-b]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 3-(cyclopropanecarbonylamino)-6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]thieno[2,3-b]pyridine-2-carboxylate
CID 45207808
methyl 3-[(2-methylbenzoyl)amino]-6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]thieno[2,3-b]pyridine-2-carboxylate
CID 45168467
methyl 3-(cyclohexanecarbonylamino)-6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate
CID 126464873
methyl 6-[(2-methylpiperidin-1-yl)methyl]-3-(thiophene-2-carbonylamino)thieno[2,3-b]pyridine-2-carboxylate
CID 45184195
methyl 6-[[benzyl(methyl)amino]methyl]-3-[(2-chlorobenzoyl)amino]thieno[2,3-b]pyridine-2-carboxylate
CID 26342293
methyl 6-[[methyl(oxolan-3-yl)amino]methyl]-3-[(2-phenoxyacetyl)amino]thieno[2,3-b]pyridine-2-carboxylate
CID 45253265
methyl 6-[[benzyl(methyl)amino]methyl]-3-[(1-phenylcyclopropanecarbonyl)amino]thieno[2,3-b]pyridine-2-carboxylate
CID 25290706
methyl 6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-3-(3-phenylprop-2-enoylamino)thieno[2,3-b]pyridine-2-carboxylate
CID 74800361
methyl 3-(2-methylpropanoylamino)-6-[(4-phenylpiperidin-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate
CID 26279525
methyl 6-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-3-[(5-methylthiophene-2-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxylate
CID 45489106
methyl 6-[[bis(prop-2-enyl)amino]methyl]-3-(thiophene-3-carbonylamino)thieno[2,3-b]pyridine-2-carboxylate
CID 42167209
methyl 6-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-[(2-phenylacetyl)amino]thieno[2,3-b]pyridine-2-carboxylate
CID 25465057

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopropanecarbonylamino)-6-[[methyl-[(1R)-1-thiophen-2-ylethyl]amino]methyl]thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-(cyclopropanecarbonylamino)-6-[[methyl-[(1R)-1-thiophen-2-ylethyl]amino]methyl]thieno[2,3-b]pyridine-2-carboxylate (CID 42484353) is methyl 3-(cyclopropanecarbonylamino)-6-[[methyl-[(1R)-1-thiophen-2-ylethyl]amino]methyl]thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(cyclopropanecarbonylamino)-6-[[methyl-[(1R)-1-thiophen-2-ylethyl]amino]methyl]thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-(cyclopropanecarbonylamino)-6-[[methyl-[(1R)-1-thiophen-2-ylethyl]amino]methyl]thieno[2,3-b]pyridine-2-carboxylate is COC(=O)c1sc2nc(CN(C)[C@H](C)c3cccs3)ccc2c1NC(=O)C1CC1.
What is the InChIKey of methyl 3-(cyclopropanecarbonylamino)-6-[[methyl-[(1R)-1-thiophen-2-ylethyl]amino]methyl]thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is FNRVHCPXWOJGQS-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H23N3O3S2/c1-12(16-5-4-10-28-16)24(2)11-14-8-9-15-17(23-19(25)13-6-7-13)18(21(26)27-3)29-20(15)22-14/h4-5,8-10,12-13H,6-7,11H2,1-3H3,(H,23,25)/t12-/m1/s1.
What are the key properties of methyl 3-(cyclopropanecarbonylamino)-6-[[methyl-[(1R)-1-thiophen-2-ylethyl]amino]methyl]thieno[2,3-b]pyridine-2-carboxylate?
methyl 3-(cyclopropanecarbonylamino)-6-[[methyl-[(1R)-1-thiophen-2-ylethyl]amino]methyl]thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 429.57 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopropanecarbonylamino)-6-[[methyl-[(1R)-1-thiophen-2-ylethyl]amino]methyl]thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 42484353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).