4-amino-2-(3-cyanophenyl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide

C21H16N6OS — CID 45275524

IUPAC4-amino-2-(3-cyanophenyl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESN#Cc1cccc(-c2nc(N)c3cc(C(=O)NCCc4cccnc4)sc3n2)c1
InChIInChI=1S/C21H16N6OS/c22-11-14-3-1-5-15(9-14)19-26-18(23)16-10-17(29-21(16)27-19)20(28)25-8-6-13-4-2-7-24-12-13/h1-5,7,9-10,12H,6,8H2,(H,25,28)(H2,23,26,27)
InChIKeyGVEUBLIVPUMXMZ-UHFFFAOYSA-N
MW400.47 g/mol
LogP3.18
Rot. Bonds5

About 4-amino-2-(3-cyanophenyl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide

4-amino-2-(3-cyanophenyl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 45275524) has the molecular formula C21H16N6OS and a molecular weight of 400.47 g/mol. Its IUPAC name is 4-amino-2-(3-cyanophenyl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-amino-2-(3-cyanophenyl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID45275524
Molecular FormulaC21H16N6OS
Molecular Weight400.47 g/mol
Exact Mass400.11
IUPAC Name4-amino-2-(3-cyanophenyl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESN#Cc1cccc(-c2nc(N)c3cc(C(=O)NCCc4cccnc4)sc3n2)c1
InChIInChI=1S/C21H16N6OS/c22-11-14-3-1-5-15(9-14)19-26-18(23)16-10-17(29-21(16)27-19)20(28)25-8-6-13-4-2-7-24-12-13/h1-5,7,9-10,12H,6,8H2,(H,25,28)(H2,23,26,27)
InChIKeyGVEUBLIVPUMXMZ-UHFFFAOYSA-N
XLogP3.18
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-amino-6-ethenylthieno[2,3-d]pyrimidin-2-yl)benzonitrile
CID 59278078
4-amino-2-(5-cyclopropylfuran-2-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45275521
2-amino-4-phenyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 11176281
3-(4-amino-6-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)benzonitrile
CID 70901414
N-(2-pyridin-3-ylethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 39560992
5-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 24661243
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
3-(aminomethyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 60895534
4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide
CID 63185192
2-amino-6-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 55041746
1-cyano-N-(2-pyridin-3-ylethyl)formamide
CID 115172568
2-amino-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62072665

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-cyanophenyl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-amino-2-(3-cyanophenyl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 45275524) is 4-amino-2-(3-cyanophenyl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-amino-2-(3-cyanophenyl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-amino-2-(3-cyanophenyl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide is N#Cc1cccc(-c2nc(N)c3cc(C(=O)NCCc4cccnc4)sc3n2)c1.
What is the InChIKey of 4-amino-2-(3-cyanophenyl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is GVEUBLIVPUMXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6OS/c22-11-14-3-1-5-15(9-14)19-26-18(23)16-10-17(29-21(16)27-19)20(28)25-8-6-13-4-2-7-24-12-13/h1-5,7,9-10,12H,6,8H2,(H,25,28)(H2,23,26,27).
What are the key properties of 4-amino-2-(3-cyanophenyl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
4-amino-2-(3-cyanophenyl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 400.47 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-cyanophenyl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 45275524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).