N-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide

C14H15N5O2S — CID 59421539

IUPACN-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(CCc2ncnc3c2CCC(=O)N3)s1
InChIInChI=1S/C14H15N5O2S/c1-15-14(21)10-6-16-12(22-10)5-3-9-8-2-4-11(20)19-13(8)18-7-17-9/h6-7H,2-5H2,1H3,(H,15,21)(H,17,18,19,20)
InChIKeyWSLZAVKHECQLPU-UHFFFAOYSA-N
MW317.37 g/mol
LogP0.96
Rot. Bonds4

About N-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide

N-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 59421539) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID59421539
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC NameN-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(CCc2ncnc3c2CCC(=O)N3)s1
InChIInChI=1S/C14H15N5O2S/c1-15-14(21)10-6-16-12(22-10)5-3-9-8-2-4-11(20)19-13(8)18-7-17-9/h6-7H,2-5H2,1H3,(H,15,21)(H,17,18,19,20)
InChIKeyWSLZAVKHECQLPU-UHFFFAOYSA-N
XLogP0.96
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 59421539) is N-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide is CNC(=O)c1cnc(CCc2ncnc3c2CCC(=O)N3)s1.
What is the InChIKey of N-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WSLZAVKHECQLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-15-14(21)10-6-16-12(22-10)5-3-9-8-2-4-11(20)19-13(8)18-7-17-9/h6-7H,2-5H2,1H3,(H,15,21)(H,17,18,19,20).
What are the key properties of N-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
N-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59421539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).