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

C16H17N5O3S — CID 58182552

IUPACN-methyl-2-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc([C@@H](C)CC(=O)c2ncnc3c2CCC(=O)N3)s1
InChIInChI=1S/C16H17N5O3S/c1-8(16-18-6-11(25-16)15(24)17-2)5-10(22)13-9-3-4-12(23)21-14(9)20-7-19-13/h6-8H,3-5H2,1-2H3,(H,17,24)(H,19,20,21,23)/t8-/m0/s1
InChIKeyQIFQZKKMHXLQCP-QMMMGPOBSA-N
MW359.41 g/mol
LogP1.55
Rot. Bonds5

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

N-methyl-2-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 58182552) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-methyl-2-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID58182552
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC NameN-methyl-2-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc([C@@H](C)CC(=O)c2ncnc3c2CCC(=O)N3)s1
InChIInChI=1S/C16H17N5O3S/c1-8(16-18-6-11(25-16)15(24)17-2)5-10(22)13-9-3-4-12(23)21-14(9)20-7-19-13/h6-8H,3-5H2,1-2H3,(H,17,24)(H,19,20,21,23)/t8-/m0/s1
InChIKeyQIFQZKKMHXLQCP-QMMMGPOBSA-N
XLogP1.55
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-methyl-2-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide (CID 58182552) is N-methyl-2-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-methyl-2-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-methyl-2-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide is CNC(=O)c1cnc([C@@H](C)CC(=O)c2ncnc3c2CCC(=O)N3)s1.
What is the InChIKey of N-methyl-2-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is QIFQZKKMHXLQCP-QMMMGPOBSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-8(16-18-6-11(25-16)15(24)17-2)5-10(22)13-9-3-4-12(23)21-14(9)20-7-19-13/h6-8H,3-5H2,1-2H3,(H,17,24)(H,19,20,21,23)/t8-/m0/s1.
What are the key properties of N-methyl-2-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide?
N-methyl-2-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58182552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).