5-chloro-N-cyclopropyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide

C13H12ClN3O2S — CID 90648003

IUPAC5-chloro-N-cyclopropyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide
SMILESO=C(c1cc(Cl)c[nH]c1=O)N(Cc1nccs1)C1CC1
InChIInChI=1S/C13H12ClN3O2S/c14-8-5-10(12(18)16-6-8)13(19)17(9-1-2-9)7-11-15-3-4-20-11/h3-6,9H,1-2,7H2,(H,16,18)
InChIKeyPAHHLRLCJIYWTE-UHFFFAOYSA-N
MW309.78 g/mol
LogP2.29
Rot. Bonds4

About 5-chloro-N-cyclopropyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide

5-chloro-N-cyclopropyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 90648003) has the molecular formula C13H12ClN3O2S and a molecular weight of 309.78 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID90648003
Molecular FormulaC13H12ClN3O2S
Molecular Weight309.78 g/mol
Exact Mass309.03
IUPAC Name5-chloro-N-cyclopropyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide
SMILESO=C(c1cc(Cl)c[nH]c1=O)N(Cc1nccs1)C1CC1
InChIInChI=1S/C13H12ClN3O2S/c14-8-5-10(12(18)16-6-8)13(19)17(9-1-2-9)7-11-15-3-4-20-11/h3-6,9H,1-2,7H2,(H,16,18)
InChIKeyPAHHLRLCJIYWTE-UHFFFAOYSA-N
XLogP2.29
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-cyclopropyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide (CID 90648003) is 5-chloro-N-cyclopropyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide is O=C(c1cc(Cl)c[nH]c1=O)N(Cc1nccs1)C1CC1.
What is the InChIKey of 5-chloro-N-cyclopropyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is PAHHLRLCJIYWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2S/c14-8-5-10(12(18)16-6-8)13(19)17(9-1-2-9)7-11-15-3-4-20-11/h3-6,9H,1-2,7H2,(H,16,18).
What are the key properties of 5-chloro-N-cyclopropyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide?
5-chloro-N-cyclopropyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide has a molecular weight of 309.78 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 90648003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).