6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide

C18H17N5O3S — CID 110246993

IUPAC6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)n(CC(=O)Nc2nccs2)c1)c1ccccn1
InChIInChI=1S/C18H17N5O3S/c1-12(14-4-2-3-7-19-14)21-17(26)13-5-6-16(25)23(10-13)11-15(24)22-18-20-8-9-27-18/h2-10,12H,11H2,1H3,(H,21,26)(H,20,22,24)
InChIKeyRSKVDVHKSHTYQB-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.83
Rot. Bonds6

About 6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide

6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide (PubChem CID 110246993) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is 6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
PubChem CID110246993
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Name6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)n(CC(=O)Nc2nccs2)c1)c1ccccn1
InChIInChI=1S/C18H17N5O3S/c1-12(14-4-2-3-7-19-14)21-17(26)13-5-6-16(25)23(10-13)11-15(24)22-18-20-8-9-27-18/h2-10,12H,11H2,1H3,(H,21,26)(H,20,22,24)
InChIKeyRSKVDVHKSHTYQB-UHFFFAOYSA-N
XLogP1.83
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide (CID 110246993) is 6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide is CC(NC(=O)c1ccc(=O)n(CC(=O)Nc2nccs2)c1)c1ccccn1.
What is the InChIKey of 6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide?
The InChIKey is RSKVDVHKSHTYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-12(14-4-2-3-7-19-14)21-17(26)13-5-6-16(25)23(10-13)11-15(24)22-18-20-8-9-27-18/h2-10,12H,11H2,1H3,(H,21,26)(H,20,22,24).
What are the key properties of 6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide?
6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 110246993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).