5-[4-[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide

C24H30N6O2S — CID 169148671

IUPAC5-[4-[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N3CCC(c4nc5sc(C)c(C)c5c(=O)[nH]4)C3)CC2)cn1
InChIInChI=1S/C24H30N6O2S/c1-14-15(2)33-24-20(14)23(32)27-21(28-24)16-6-9-30(13-16)17-7-10-29(11-8-17)18-4-5-19(26-12-18)22(31)25-3/h4-5,12,16-17H,6-11,13H2,1-3H3,(H,25,31)(H,27,28,32)
InChIKeyLQMCEAAKFVFWKA-UHFFFAOYSA-N
MW466.61 g/mol
LogP2.81
Rot. Bonds4

About 5-[4-[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide

5-[4-[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 169148671) has the molecular formula C24H30N6O2S and a molecular weight of 466.61 g/mol. Its IUPAC name is 5-[4-[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID169148671
Molecular FormulaC24H30N6O2S
Molecular Weight466.61 g/mol
Exact Mass466.22
IUPAC Name5-[4-[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N3CCC(c4nc5sc(C)c(C)c5c(=O)[nH]4)C3)CC2)cn1
InChIInChI=1S/C24H30N6O2S/c1-14-15(2)33-24-20(14)23(32)27-21(28-24)16-6-9-30(13-16)17-7-10-29(11-8-17)18-4-5-19(26-12-18)22(31)25-3/h4-5,12,16-17H,6-11,13H2,1-3H3,(H,25,31)(H,27,28,32)
InChIKeyLQMCEAAKFVFWKA-UHFFFAOYSA-N
XLogP2.81
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[4-[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide (CID 169148671) is 5-[4-[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCC(N3CCC(c4nc5sc(C)c(C)c5c(=O)[nH]4)C3)CC2)cn1.
What is the InChIKey of 5-[4-[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is LQMCEAAKFVFWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2S/c1-14-15(2)33-24-20(14)23(32)27-21(28-24)16-6-9-30(13-16)17-7-10-29(11-8-17)18-4-5-19(26-12-18)22(31)25-3/h4-5,12,16-17H,6-11,13H2,1-3H3,(H,25,31)(H,27,28,32).
What are the key properties of 5-[4-[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide?
5-[4-[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 466.61 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 169148671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).