4-(1-acetylazetidin-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide

C16H18N4O3S — CID 118609053

IUPAC4-(1-acetylazetidin-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCC(=O)N1CC(Oc2cc(C)nc(C(=O)Nc3nc(C)cs3)c2)C1
InChIInChI=1S/C16H18N4O3S/c1-9-4-12(23-13-6-20(7-13)11(3)21)5-14(17-9)15(22)19-16-18-10(2)8-24-16/h4-5,8,13H,6-7H2,1-3H3,(H,18,19,22)
InChIKeyBMEZIGOAOIDKGQ-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.02
Rot. Bonds4

About 4-(1-acetylazetidin-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide

4-(1-acetylazetidin-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 118609053) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-(1-acetylazetidin-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1-acetylazetidin-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID118609053
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name4-(1-acetylazetidin-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCC(=O)N1CC(Oc2cc(C)nc(C(=O)Nc3nc(C)cs3)c2)C1
InChIInChI=1S/C16H18N4O3S/c1-9-4-12(23-13-6-20(7-13)11(3)21)5-14(17-9)15(22)19-16-18-10(2)8-24-16/h4-5,8,13H,6-7H2,1-3H3,(H,18,19,22)
InChIKeyBMEZIGOAOIDKGQ-UHFFFAOYSA-N
XLogP2.02
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-acetylazetidin-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 4-(1-acetylazetidin-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 118609053) is 4-(1-acetylazetidin-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(1-acetylazetidin-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-(1-acetylazetidin-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is CC(=O)N1CC(Oc2cc(C)nc(C(=O)Nc3nc(C)cs3)c2)C1.
What is the InChIKey of 4-(1-acetylazetidin-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is BMEZIGOAOIDKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-9-4-12(23-13-6-20(7-13)11(3)21)5-14(17-9)15(22)19-16-18-10(2)8-24-16/h4-5,8,13H,6-7H2,1-3H3,(H,18,19,22).
What are the key properties of 4-(1-acetylazetidin-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
4-(1-acetylazetidin-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetylazetidin-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118609053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).