N-[3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-pyridin-3-ylpropanamide

C18H18N4O3S — CID 11992660

IUPACN-[3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-pyridin-3-ylpropanamide
SMILESN#Cc1c(NC(=O)CCc2cccnc2)sc2c1CCN(C(=O)CO)C2
InChIInChI=1S/C18H18N4O3S/c19-8-14-13-5-7-22(17(25)11-23)10-15(13)26-18(14)21-16(24)4-3-12-2-1-6-20-9-12/h1-2,6,9,23H,3-5,7,10-11H2,(H,21,24)
InChIKeyFSFPVZSDGOXOCT-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.46
Rot. Bonds5

About N-[3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-pyridin-3-ylpropanamide

N-[3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-pyridin-3-ylpropanamide (PubChem CID 11992660) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-pyridin-3-ylpropanamide
PubChem CID11992660
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-[3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-pyridin-3-ylpropanamide
SMILESN#Cc1c(NC(=O)CCc2cccnc2)sc2c1CCN(C(=O)CO)C2
InChIInChI=1S/C18H18N4O3S/c19-8-14-13-5-7-22(17(25)11-23)10-15(13)26-18(14)21-16(24)4-3-12-2-1-6-20-9-12/h1-2,6,9,23H,3-5,7,10-11H2,(H,21,24)
InChIKeyFSFPVZSDGOXOCT-UHFFFAOYSA-N
XLogP1.46
TPSA106.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-pyridin-3-ylpropanamide (CID 11992660) is N-[3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-pyridin-3-ylpropanamide is N#Cc1c(NC(=O)CCc2cccnc2)sc2c1CCN(C(=O)CO)C2.
What is the InChIKey of N-[3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-pyridin-3-ylpropanamide?
The InChIKey is FSFPVZSDGOXOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c19-8-14-13-5-7-22(17(25)11-23)10-15(13)26-18(14)21-16(24)4-3-12-2-1-6-20-9-12/h1-2,6,9,23H,3-5,7,10-11H2,(H,21,24).
What are the key properties of N-[3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-pyridin-3-ylpropanamide?
N-[3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-pyridin-3-ylpropanamide has a molecular weight of 370.43 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 11992660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).