5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide

C16H23N3O2 — CID 126640738

IUPAC5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
SMILESCCOc1ncc(C)c2c1C(C(C)C)C(C(N)=O)=C(C)N2
InChIInChI=1S/C16H23N3O2/c1-6-21-16-13-11(8(2)3)12(15(17)20)10(5)19-14(13)9(4)7-18-16/h7-8,11,19H,6H2,1-5H3,(H2,17,20)
InChIKeyMTORHJSNIGBRNY-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.71
Rot. Bonds4

About 5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide

5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide (PubChem CID 126640738) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
PubChem CID126640738
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
SMILESCCOc1ncc(C)c2c1C(C(C)C)C(C(N)=O)=C(C)N2
InChIInChI=1S/C16H23N3O2/c1-6-21-16-13-11(8(2)3)12(15(17)20)10(5)19-14(13)9(4)7-18-16/h7-8,11,19H,6H2,1-5H3,(H2,17,20)
InChIKeyMTORHJSNIGBRNY-UHFFFAOYSA-N
XLogP2.71
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide (CID 126640738) is 5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide is CCOc1ncc(C)c2c1C(C(C)C)C(C(N)=O)=C(C)N2.
What is the InChIKey of 5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?
The InChIKey is MTORHJSNIGBRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-6-21-16-13-11(8(2)3)12(15(17)20)10(5)19-14(13)9(4)7-18-16/h7-8,11,19H,6H2,1-5H3,(H2,17,20).
What are the key properties of 5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?
5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2,8-dimethyl-4-propan-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 126640738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).