6-oxo-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]-1H-pyrimidine-5-carboxamide

C14H14N4O2S — CID 97110681

IUPAC6-oxo-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]-1H-pyrimidine-5-carboxamide
SMILESO=C(N[C@H]1CCSC1)c1cnc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C14H14N4O2S/c19-13(17-10-3-6-21-8-10)11-7-16-12(18-14(11)20)9-1-4-15-5-2-9/h1-2,4-5,7,10H,3,6,8H2,(H,17,19)(H,16,18,20)/t10-/m0/s1
InChIKeyLBBVAHWVYPSNLG-JTQLQIEISA-N
MW302.36 g/mol
LogP1.07
Rot. Bonds3

About 6-oxo-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]-1H-pyrimidine-5-carboxamide

6-oxo-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]-1H-pyrimidine-5-carboxamide (PubChem CID 97110681) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 6-oxo-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-oxo-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]-1H-pyrimidine-5-carboxamide
PubChem CID97110681
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name6-oxo-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]-1H-pyrimidine-5-carboxamide
SMILESO=C(N[C@H]1CCSC1)c1cnc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C14H14N4O2S/c19-13(17-10-3-6-21-8-10)11-7-16-12(18-14(11)20)9-1-4-15-5-2-9/h1-2,4-5,7,10H,3,6,8H2,(H,17,19)(H,16,18,20)/t10-/m0/s1
InChIKeyLBBVAHWVYPSNLG-JTQLQIEISA-N
XLogP1.07
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.07
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-4-yl-N-[(3S)-thiolan-3-yl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-oxo-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]-1H-pyrimidine-5-carboxamide (CID 97110681) is 6-oxo-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-oxo-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-oxo-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]-1H-pyrimidine-5-carboxamide is O=C(N[C@H]1CCSC1)c1cnc(-c2ccncc2)[nH]c1=O.
What is the InChIKey of 6-oxo-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]-1H-pyrimidine-5-carboxamide?
The InChIKey is LBBVAHWVYPSNLG-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14N4O2S/c19-13(17-10-3-6-21-8-10)11-7-16-12(18-14(11)20)9-1-4-15-5-2-9/h1-2,4-5,7,10H,3,6,8H2,(H,17,19)(H,16,18,20)/t10-/m0/s1.
What are the key properties of 6-oxo-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]-1H-pyrimidine-5-carboxamide?
6-oxo-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]-1H-pyrimidine-5-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 97110681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).