5-chloro-6-oxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide

C13H13ClN4O3 — CID 97428164

IUPAC5-chloro-6-oxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cnn([C@H]2CCOC2)c1)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C13H13ClN4O3/c14-11-3-8(4-15-13(11)20)12(19)17-9-5-16-18(6-9)10-1-2-21-7-10/h3-6,10H,1-2,7H2,(H,15,20)(H,17,19)/t10-/m0/s1
InChIKeyGVGCHBQLOUSOQZ-JTQLQIEISA-N
MW308.73 g/mol
LogP1.44
Rot. Bonds3

About 5-chloro-6-oxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide

5-chloro-6-oxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide (PubChem CID 97428164) has the molecular formula C13H13ClN4O3 and a molecular weight of 308.73 g/mol. Its IUPAC name is 5-chloro-6-oxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-oxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide
PubChem CID97428164
Molecular FormulaC13H13ClN4O3
Molecular Weight308.73 g/mol
Exact Mass308.07
IUPAC Name5-chloro-6-oxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cnn([C@H]2CCOC2)c1)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C13H13ClN4O3/c14-11-3-8(4-15-13(11)20)12(19)17-9-5-16-18(6-9)10-1-2-21-7-10/h3-6,10H,1-2,7H2,(H,15,20)(H,17,19)/t10-/m0/s1
InChIKeyGVGCHBQLOUSOQZ-JTQLQIEISA-N
XLogP1.44
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-oxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-oxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide (CID 97428164) is 5-chloro-6-oxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-oxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-oxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide is O=C(Nc1cnn([C@H]2CCOC2)c1)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-6-oxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide?
The InChIKey is GVGCHBQLOUSOQZ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13ClN4O3/c14-11-3-8(4-15-13(11)20)12(19)17-9-5-16-18(6-9)10-1-2-21-7-10/h3-6,10H,1-2,7H2,(H,15,20)(H,17,19)/t10-/m0/s1.
What are the key properties of 5-chloro-6-oxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide?
5-chloro-6-oxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide has a molecular weight of 308.73 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-oxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 97428164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).