4-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-(6-methoxy-2-pyridinyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide

C23H22N6O3S — CID 177337170

IUPAC4-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-(6-methoxy-2-pyridinyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide
SMILESCCNC(=O)Nc1ccc(-c2cncc3sc(C(=O)N(C)c4cccc(OC)n4)cc23)cn1
InChIInChI=1S/C23H22N6O3S/c1-4-25-23(31)27-19-9-8-14(11-26-19)16-12-24-13-18-15(16)10-17(33-18)22(30)29(2)20-6-5-7-21(28-20)32-3/h5-13H,4H2,1-3H3,(H2,25,26,27,31)
InChIKeyKKCIVMIYDSXQHC-UHFFFAOYSA-N
MW462.54 g/mol
LogP4.18
Rot. Bonds6

About 4-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-(6-methoxy-2-pyridinyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide

4-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-(6-methoxy-2-pyridinyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide (PubChem CID 177337170) has the molecular formula C23H22N6O3S and a molecular weight of 462.54 g/mol. Its IUPAC name is 4-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-(6-methoxy-2-pyridinyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-(6-methoxy-2-pyridinyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide
PubChem CID177337170
Molecular FormulaC23H22N6O3S
Molecular Weight462.54 g/mol
Exact Mass462.15
IUPAC Name4-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-(6-methoxy-2-pyridinyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide
SMILESCCNC(=O)Nc1ccc(-c2cncc3sc(C(=O)N(C)c4cccc(OC)n4)cc23)cn1
InChIInChI=1S/C23H22N6O3S/c1-4-25-23(31)27-19-9-8-14(11-26-19)16-12-24-13-18-15(16)10-17(33-18)22(30)29(2)20-6-5-7-21(28-20)32-3/h5-13H,4H2,1-3H3,(H2,25,26,27,31)
InChIKeyKKCIVMIYDSXQHC-UHFFFAOYSA-N
XLogP4.18
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-(6-methoxy-2-pyridinyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

4-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-(4-methoxy-2-pyridinyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 177337182
methyl N-[5-[2-[(4-fluorophenyl)-methylcarbamoyl]thieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate
CID 177337145
N-(6-methoxy-2-pyridinyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 177337171
1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea
CID 72712074
2-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-methoxy-1,3-thiazole-5-carboxamide
CID 59208396
2-[6-(ethylcarbamoylamino)-3-pyridinyl]-4-N,4-N-dimethyl-5-N-propan-2-yl-1,3-thiazole-4,5-dicarboxamide
CID 59208344
5-N-tert-butyl-2-[6-(ethylcarbamoylamino)-3-pyridinyl]-4-N,4-N-dimethyl-1,3-thiazole-4,5-dicarboxamide
CID 59208409
[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]oxyboronic acid
CID 142785505
1-ethyl-3-[3-(6-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 16730610
1-ethyl-3-[6-[6-(ethylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
CID 89172913
1-ethyl-3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]urea
CID 11461082
methyl N-[5-[2-[(4-fluoro-3-methoxyphenyl)-methylcarbamoyl]-7-methylthieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate
CID 177337150

Frequently Asked Questions

What is the IUPAC name of 4-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-(6-methoxy-2-pyridinyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-(6-methoxy-2-pyridinyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide (CID 177337170) is 4-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-(6-methoxy-2-pyridinyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-(6-methoxy-2-pyridinyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-(6-methoxy-2-pyridinyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide is CCNC(=O)Nc1ccc(-c2cncc3sc(C(=O)N(C)c4cccc(OC)n4)cc23)cn1.
What is the InChIKey of 4-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-(6-methoxy-2-pyridinyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is KKCIVMIYDSXQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3S/c1-4-25-23(31)27-19-9-8-14(11-26-19)16-12-24-13-18-15(16)10-17(33-18)22(30)29(2)20-6-5-7-21(28-20)32-3/h5-13H,4H2,1-3H3,(H2,25,26,27,31).
What are the key properties of 4-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-(6-methoxy-2-pyridinyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide?
4-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-(6-methoxy-2-pyridinyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 462.54 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-(6-methoxy-2-pyridinyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 177337170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).