1-ethyl-4-oxo-7-[(E)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethenyl]-1,8-naphthyridine-3-carboxamide

C19H20N4O2S — CID 87908911

IUPAC1-ethyl-4-oxo-7-[(E)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethenyl]-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(N)=O)c(=O)c2ccc(/C=C/c3nc(C(C)C)cs3)nc21
InChIInChI=1S/C19H20N4O2S/c1-4-23-9-14(18(20)25)17(24)13-7-5-12(21-19(13)23)6-8-16-22-15(10-26-16)11(2)3/h5-11H,4H2,1-3H3,(H2,20,25)/b8-6+
InChIKeyFMWIMRZFSYYLJJ-SOFGYWHQSA-N
MW368.46 g/mol
LogP3.27
Rot. Bonds5

About 1-ethyl-4-oxo-7-[(E)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethenyl]-1,8-naphthyridine-3-carboxamide

1-ethyl-4-oxo-7-[(E)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethenyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 87908911) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-ethyl-4-oxo-7-[(E)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethenyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-oxo-7-[(E)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethenyl]-1,8-naphthyridine-3-carboxamide
PubChem CID87908911
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name1-ethyl-4-oxo-7-[(E)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethenyl]-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(N)=O)c(=O)c2ccc(/C=C/c3nc(C(C)C)cs3)nc21
InChIInChI=1S/C19H20N4O2S/c1-4-23-9-14(18(20)25)17(24)13-7-5-12(21-19(13)23)6-8-16-22-15(10-26-16)11(2)3/h5-11H,4H2,1-3H3,(H2,20,25)/b8-6+
InChIKeyFMWIMRZFSYYLJJ-SOFGYWHQSA-N
XLogP3.27
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-oxo-7-[(E)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethenyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-4-oxo-7-[(E)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethenyl]-1,8-naphthyridine-3-carboxamide (CID 87908911) is 1-ethyl-4-oxo-7-[(E)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethenyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-oxo-7-[(E)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethenyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-4-oxo-7-[(E)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethenyl]-1,8-naphthyridine-3-carboxamide is CCn1cc(C(N)=O)c(=O)c2ccc(/C=C/c3nc(C(C)C)cs3)nc21.
What is the InChIKey of 1-ethyl-4-oxo-7-[(E)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethenyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is FMWIMRZFSYYLJJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-4-23-9-14(18(20)25)17(24)13-7-5-12(21-19(13)23)6-8-16-22-15(10-26-16)11(2)3/h5-11H,4H2,1-3H3,(H2,20,25)/b8-6+.
What are the key properties of 1-ethyl-4-oxo-7-[(E)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethenyl]-1,8-naphthyridine-3-carboxamide?
1-ethyl-4-oxo-7-[(E)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethenyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-oxo-7-[(E)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethenyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 87908911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).