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

C21H21N5OS — CID 92877191

IUPAC(3R)-N-(3-cyanophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCc1cc2c(N3CCC[C@@H](C(=O)Nc4cccc(C#N)c4)C3)ncnc2s1
InChIInChI=1S/C21H21N5OS/c1-2-17-10-18-19(23-13-24-21(18)28-17)26-8-4-6-15(12-26)20(27)25-16-7-3-5-14(9-16)11-22/h3,5,7,9-10,13,15H,2,4,6,8,12H2,1H3,(H,25,27)/t15-/m1/s1
InChIKeyAGEHNRHJNNEJPS-OAHLLOKOSA-N
MW391.50 g/mol
LogP3.98
Rot. Bonds4

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

(3R)-N-(3-cyanophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 92877191) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is (3R)-N-(3-cyanophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-cyanophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID92877191
Molecular FormulaC21H21N5OS
Molecular Weight391.50 g/mol
Exact Mass391.15
IUPAC Name(3R)-N-(3-cyanophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCc1cc2c(N3CCC[C@@H](C(=O)Nc4cccc(C#N)c4)C3)ncnc2s1
InChIInChI=1S/C21H21N5OS/c1-2-17-10-18-19(23-13-24-21(18)28-17)26-8-4-6-15(12-26)20(27)25-16-7-3-5-14(9-16)11-22/h3,5,7,9-10,13,15H,2,4,6,8,12H2,1H3,(H,25,27)/t15-/m1/s1
InChIKeyAGEHNRHJNNEJPS-OAHLLOKOSA-N
XLogP3.98
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(3-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877193
N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46362863
(3R)-N-(4-chlorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877233
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877083
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46362845
(3R)-N-[(3-chlorophenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877223
(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92877263
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide
CID 133408219
(3R)-N-(2,4-dimethoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877085
(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92877305
[(3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92877110
(3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877210

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-cyanophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-cyanophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 92877191) is (3R)-N-(3-cyanophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-cyanophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-cyanophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is CCc1cc2c(N3CCC[C@@H](C(=O)Nc4cccc(C#N)c4)C3)ncnc2s1.
What is the InChIKey of (3R)-N-(3-cyanophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is AGEHNRHJNNEJPS-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21N5OS/c1-2-17-10-18-19(23-13-24-21(18)28-17)26-8-4-6-15(12-26)20(27)25-16-7-3-5-14(9-16)11-22/h3,5,7,9-10,13,15H,2,4,6,8,12H2,1H3,(H,25,27)/t15-/m1/s1.
What are the key properties of (3R)-N-(3-cyanophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
(3R)-N-(3-cyanophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-cyanophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92877191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).