2-morpholin-4-ylethyl 3-cyano-2-[propanoyl(pyridin-3-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

C23H27N5O4S — CID 90939949

IUPAC2-morpholin-4-ylethyl 3-cyano-2-[propanoyl(pyridin-3-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCCC(=O)N(c1cccnc1)c1sc2c(c1C#N)CCN(C(=O)OCCN1CCOCC1)C2
InChIInChI=1S/C23H27N5O4S/c1-2-21(29)28(17-4-3-6-25-15-17)22-19(14-24)18-5-7-27(16-20(18)33-22)23(30)32-13-10-26-8-11-31-12-9-26/h3-4,6,15H,2,5,7-13,16H2,1H3
InChIKeyBIHWJXPWZXZWQO-UHFFFAOYSA-N
MW469.57 g/mol
LogP2.92
Rot. Bonds6

About 2-morpholin-4-ylethyl 3-cyano-2-[propanoyl(pyridin-3-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

2-morpholin-4-ylethyl 3-cyano-2-[propanoyl(pyridin-3-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 90939949) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 3-cyano-2-[propanoyl(pyridin-3-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 3-cyano-2-[propanoyl(pyridin-3-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
PubChem CID90939949
Molecular FormulaC23H27N5O4S
Molecular Weight469.57 g/mol
Exact Mass469.18
IUPAC Name2-morpholin-4-ylethyl 3-cyano-2-[propanoyl(pyridin-3-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCCC(=O)N(c1cccnc1)c1sc2c(c1C#N)CCN(C(=O)OCCN1CCOCC1)C2
InChIInChI=1S/C23H27N5O4S/c1-2-21(29)28(17-4-3-6-25-15-17)22-19(14-24)18-5-7-27(16-20(18)33-22)23(30)32-13-10-26-8-11-31-12-9-26/h3-4,6,15H,2,5,7-13,16H2,1H3
InChIKeyBIHWJXPWZXZWQO-UHFFFAOYSA-N
XLogP2.92
TPSA99.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-morpholin-4-ylethyl 3-cyano-2-[propanoyl(pyridin-3-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate with MolForge

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Related Compounds

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CID 59306316
CID 59306316
CID 59306342
CID 59306342
CID 59306348
CID 59306348
CID 59306352
CID 59306352
CID 59306390
CID 59306390
CID 59306404
CID 59306404
CID 59306420
CID 59306420
CID 59306450
CID 59306450
CID 59306455
CID 59306455

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 3-cyano-2-[propanoyl(pyridin-3-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl 3-cyano-2-[propanoyl(pyridin-3-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (CID 90939949) is 2-morpholin-4-ylethyl 3-cyano-2-[propanoyl(pyridin-3-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl 3-cyano-2-[propanoyl(pyridin-3-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl 3-cyano-2-[propanoyl(pyridin-3-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is CCC(=O)N(c1cccnc1)c1sc2c(c1C#N)CCN(C(=O)OCCN1CCOCC1)C2.
What is the InChIKey of 2-morpholin-4-ylethyl 3-cyano-2-[propanoyl(pyridin-3-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The InChIKey is BIHWJXPWZXZWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4S/c1-2-21(29)28(17-4-3-6-25-15-17)22-19(14-24)18-5-7-27(16-20(18)33-22)23(30)32-13-10-26-8-11-31-12-9-26/h3-4,6,15H,2,5,7-13,16H2,1H3.
What are the key properties of 2-morpholin-4-ylethyl 3-cyano-2-[propanoyl(pyridin-3-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
2-morpholin-4-ylethyl 3-cyano-2-[propanoyl(pyridin-3-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 469.57 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 3-cyano-2-[propanoyl(pyridin-3-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 90939949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).