ethane;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide

C25H30N6OS — CID 142540083

IUPACethane;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCC.CCC(NC(=O)c1nc(NC(CC)c2cccnc2)nc2ccsc12)c1cccnc1
InChIInChI=1S/C23H24N6OS.C2H6/c1-3-17(15-7-5-10-24-13-15)26-22(30)20-21-19(9-12-31-21)28-23(29-20)27-18(4-2)16-8-6-11-25-14-16;1-2/h5-14,17-18H,3-4H2,1-2H3,(H,26,30)(H,27,28,29);1-2H3
InChIKeyYIKIFBHDMXRIMS-UHFFFAOYSA-N
MW462.62 g/mol
LogP5.95
Rot. Bonds8

About ethane;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide

ethane;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 142540083) has the molecular formula C25H30N6OS and a molecular weight of 462.62 g/mol. Its IUPAC name is ethane;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Nameethane;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide
PubChem CID142540083
Molecular FormulaC25H30N6OS
Molecular Weight462.62 g/mol
Exact Mass462.22
IUPAC Nameethane;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCC.CCC(NC(=O)c1nc(NC(CC)c2cccnc2)nc2ccsc12)c1cccnc1
InChIInChI=1S/C23H24N6OS.C2H6/c1-3-17(15-7-5-10-24-13-15)26-22(30)20-21-19(9-12-31-21)28-23(29-20)27-18(4-2)16-8-6-11-25-14-16;1-2/h5-14,17-18H,3-4H2,1-2H3,(H,26,30)(H,27,28,29);1-2H3
InChIKeyYIKIFBHDMXRIMS-UHFFFAOYSA-N
XLogP5.95
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.62
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethane;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide with MolForge

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Related Compounds

(4S)-4-hydroxy-1-[2-[[(1R)-2-methoxy-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]pentan-1-one
CID 163695403
[2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 25230181
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 25230103
N-(2-phenylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 25230099
(3-methylsulfonylpyrrolidin-1-yl)-[2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone
CID 166978540
(5-methylfuran-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 46883109
3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide
CID 91796729
(5-chlorothiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 46883108
2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[2-(3-hydroxyphenyl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 150785059
molecular hydrogen;2-(1-pyridin-2-ylethylamino)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide
CID 142540200
1-ethyl-6-methyl-2-oxo-N-[(1S)-1-pyridin-3-ylpropyl]pyridine-3-carboxamide
CID 125441292
2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(1-pyridin-3-ylpentyl)acetamide
CID 118782889

Frequently Asked Questions

What is the IUPAC name of ethane;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of ethane;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide (CID 142540083) is ethane;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for ethane;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for ethane;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide is CC.CCC(NC(=O)c1nc(NC(CC)c2cccnc2)nc2ccsc12)c1cccnc1.
What is the InChIKey of ethane;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is YIKIFBHDMXRIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6OS.C2H6/c1-3-17(15-7-5-10-24-13-15)26-22(30)20-21-19(9-12-31-21)28-23(29-20)27-18(4-2)16-8-6-11-25-14-16;1-2/h5-14,17-18H,3-4H2,1-2H3,(H,26,30)(H,27,28,29);1-2H3.
What are the key properties of ethane;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
ethane;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 462.62 g/mol, XLogP of 5.95, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 142540083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).