N-(4-cyanophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

C21H21N5OS — CID 18273730

IUPACN-(4-cyanophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)Nc4ccc(C#N)cc4)CC3)c2c1C
InChIInChI=1S/C21H21N5OS/c1-13-14(2)28-21-18(13)19(23-12-24-21)26-9-7-16(8-10-26)20(27)25-17-5-3-15(11-22)4-6-17/h3-6,12,16H,7-10H2,1-2H3,(H,25,27)
InChIKeyFCFWUYYLNZABNB-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.03
Rot. Bonds3

About N-(4-cyanophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

N-(4-cyanophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 18273730) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID18273730
Molecular FormulaC21H21N5OS
Molecular Weight391.50 g/mol
Exact Mass391.15
IUPAC NameN-(4-cyanophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)Nc4ccc(C#N)cc4)CC3)c2c1C
InChIInChI=1S/C21H21N5OS/c1-13-14(2)28-21-18(13)19(23-12-24-21)26-9-7-16(8-10-26)20(27)25-17-5-3-15(11-22)4-6-17/h3-6,12,16H,7-10H2,1-2H3,(H,25,27)
InChIKeyFCFWUYYLNZABNB-UHFFFAOYSA-N
XLogP4.03
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 18273730) is N-(4-cyanophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(C#N)cc4)CC3)c2c1C.
What is the InChIKey of N-(4-cyanophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is FCFWUYYLNZABNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS/c1-13-14(2)28-21-18(13)19(23-12-24-21)26-9-7-16(8-10-26)20(27)25-17-5-3-15(11-22)4-6-17/h3-6,12,16H,7-10H2,1-2H3,(H,25,27).
What are the key properties of N-(4-cyanophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-(4-cyanophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 18273730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).