N-[3-cyano-6-(3-piperidin-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]naphthalene-1-carboxamide

C27H28N4O2S — CID 15991561

IUPACN-[3-cyano-6-(3-piperidin-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]naphthalene-1-carboxamide
SMILESN#Cc1c(NC(=O)c2cccc3ccccc23)sc2c1CCN(C(=O)CCN1CCCCC1)C2
InChIInChI=1S/C27H28N4O2S/c28-17-23-21-11-16-31(25(32)12-15-30-13-4-1-5-14-30)18-24(21)34-27(23)29-26(33)22-10-6-8-19-7-2-3-9-20(19)22/h2-3,6-10H,1,4-5,11-16,18H2,(H,29,33)
InChIKeyPRZGSWGFNRYBIP-UHFFFAOYSA-N
MW472.61 g/mol
LogP4.79
Rot. Bonds5

About N-[3-cyano-6-(3-piperidin-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]naphthalene-1-carboxamide

N-[3-cyano-6-(3-piperidin-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]naphthalene-1-carboxamide (PubChem CID 15991561) has the molecular formula C27H28N4O2S and a molecular weight of 472.61 g/mol. Its IUPAC name is N-[3-cyano-6-(3-piperidin-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-6-(3-piperidin-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]naphthalene-1-carboxamide
PubChem CID15991561
Molecular FormulaC27H28N4O2S
Molecular Weight472.61 g/mol
Exact Mass472.19
IUPAC NameN-[3-cyano-6-(3-piperidin-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]naphthalene-1-carboxamide
SMILESN#Cc1c(NC(=O)c2cccc3ccccc23)sc2c1CCN(C(=O)CCN1CCCCC1)C2
InChIInChI=1S/C27H28N4O2S/c28-17-23-21-11-16-31(25(32)12-15-30-13-4-1-5-14-30)18-24(21)34-27(23)29-26(33)22-10-6-8-19-7-2-3-9-20(19)22/h2-3,6-10H,1,4-5,11-16,18H2,(H,29,33)
InChIKeyPRZGSWGFNRYBIP-UHFFFAOYSA-N
XLogP4.79
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-6-(3-piperidin-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[3-cyano-6-(3-piperidin-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]naphthalene-1-carboxamide (CID 15991561) is N-[3-cyano-6-(3-piperidin-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[3-cyano-6-(3-piperidin-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[3-cyano-6-(3-piperidin-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]naphthalene-1-carboxamide is N#Cc1c(NC(=O)c2cccc3ccccc23)sc2c1CCN(C(=O)CCN1CCCCC1)C2.
What is the InChIKey of N-[3-cyano-6-(3-piperidin-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]naphthalene-1-carboxamide?
The InChIKey is PRZGSWGFNRYBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2S/c28-17-23-21-11-16-31(25(32)12-15-30-13-4-1-5-14-30)18-24(21)34-27(23)29-26(33)22-10-6-8-19-7-2-3-9-20(19)22/h2-3,6-10H,1,4-5,11-16,18H2,(H,29,33).
What are the key properties of N-[3-cyano-6-(3-piperidin-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]naphthalene-1-carboxamide?
N-[3-cyano-6-(3-piperidin-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]naphthalene-1-carboxamide has a molecular weight of 472.61 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-6-(3-piperidin-1-ylpropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 15991561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).