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

C25H32N6O2S — CID 169148911

IUPAC5-[4-[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N3CCCC(c4nc5sc(C)c(C)c5c(=O)[nH]4)C3)CC2)cn1
InChIInChI=1S/C25H32N6O2S/c1-15-16(2)34-25-21(15)24(33)28-22(29-25)17-5-4-10-31(14-17)18-8-11-30(12-9-18)19-6-7-20(27-13-19)23(32)26-3/h6-7,13,17-18H,4-5,8-12,14H2,1-3H3,(H,26,32)(H,28,29,33)
InChIKeyRWEAPRLPRVVMGX-UHFFFAOYSA-N
MW480.64 g/mol
LogP3.20
Rot. Bonds4

About 5-[4-[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)piperidin-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)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 169148911) has the molecular formula C25H32N6O2S and a molecular weight of 480.64 g/mol. Its IUPAC name is 5-[4-[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)piperidin-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)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID169148911
Molecular FormulaC25H32N6O2S
Molecular Weight480.64 g/mol
Exact Mass480.23
IUPAC Name5-[4-[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(N3CCCC(c4nc5sc(C)c(C)c5c(=O)[nH]4)C3)CC2)cn1
InChIInChI=1S/C25H32N6O2S/c1-15-16(2)34-25-21(15)24(33)28-22(29-25)17-5-4-10-31(14-17)18-8-11-30(12-9-18)19-6-7-20(27-13-19)23(32)26-3/h6-7,13,17-18H,4-5,8-12,14H2,1-3H3,(H,26,32)(H,28,29,33)
InChIKeyRWEAPRLPRVVMGX-UHFFFAOYSA-N
XLogP3.20
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.64
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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)piperidin-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)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide (CID 169148911) is 5-[4-[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)piperidin-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)piperidin-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)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCC(N3CCCC(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)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is RWEAPRLPRVVMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2S/c1-15-16(2)34-25-21(15)24(33)28-22(29-25)17-5-4-10-31(14-17)18-8-11-30(12-9-18)19-6-7-20(27-13-19)23(32)26-3/h6-7,13,17-18H,4-5,8-12,14H2,1-3H3,(H,26,32)(H,28,29,33).
What are the key properties of 5-[4-[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)piperidin-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)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 480.64 g/mol, XLogP of 3.20, 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)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 169148911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).