6-oxo-2-pyridin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1H-pyrimidine-5-carboxamide

C17H16N4O2S — CID 97116942

IUPAC6-oxo-2-pyridin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1H-pyrimidine-5-carboxamide
SMILESC[C@H](Cc1ccsc1)NC(=O)c1cnc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C17H16N4O2S/c1-11(8-12-5-7-24-10-12)20-16(22)13-9-19-15(21-17(13)23)14-4-2-3-6-18-14/h2-7,9-11H,8H2,1H3,(H,20,22)(H,19,21,23)/t11-/m1/s1
InChIKeyUTPGHMAJZMXQDO-LLVKDONJSA-N
MW340.41 g/mol
LogP2.25
Rot. Bonds5

About 6-oxo-2-pyridin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1H-pyrimidine-5-carboxamide

6-oxo-2-pyridin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1H-pyrimidine-5-carboxamide (PubChem CID 97116942) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 6-oxo-2-pyridin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-oxo-2-pyridin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1H-pyrimidine-5-carboxamide
PubChem CID97116942
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name6-oxo-2-pyridin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1H-pyrimidine-5-carboxamide
SMILESC[C@H](Cc1ccsc1)NC(=O)c1cnc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C17H16N4O2S/c1-11(8-12-5-7-24-10-12)20-16(22)13-9-19-15(21-17(13)23)14-4-2-3-6-18-14/h2-7,9-11H,8H2,1H3,(H,20,22)(H,19,21,23)/t11-/m1/s1
InChIKeyUTPGHMAJZMXQDO-LLVKDONJSA-N
XLogP2.25
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-pyridin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-oxo-2-pyridin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1H-pyrimidine-5-carboxamide (CID 97116942) is 6-oxo-2-pyridin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-oxo-2-pyridin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-oxo-2-pyridin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1H-pyrimidine-5-carboxamide is C[C@H](Cc1ccsc1)NC(=O)c1cnc(-c2ccccn2)[nH]c1=O.
What is the InChIKey of 6-oxo-2-pyridin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1H-pyrimidine-5-carboxamide?
The InChIKey is UTPGHMAJZMXQDO-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-11(8-12-5-7-24-10-12)20-16(22)13-9-19-15(21-17(13)23)14-4-2-3-6-18-14/h2-7,9-11H,8H2,1H3,(H,20,22)(H,19,21,23)/t11-/m1/s1.
What are the key properties of 6-oxo-2-pyridin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1H-pyrimidine-5-carboxamide?
6-oxo-2-pyridin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1H-pyrimidine-5-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-pyridin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 97116942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).