8-[2-(3,5-dimethylphenoxy)acetyl]-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide

C19H21N3O3 — CID 126824866

IUPAC8-[2-(3,5-dimethylphenoxy)acetyl]-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide
SMILESCc1cc(C)cc(OCC(=O)N2CCCc3ccc(C(N)=O)nc32)c1
InChIInChI=1S/C19H21N3O3/c1-12-8-13(2)10-15(9-12)25-11-17(23)22-7-3-4-14-5-6-16(18(20)24)21-19(14)22/h5-6,8-10H,3-4,7,11H2,1-2H3,(H2,20,24)
InChIKeyTVBKLZPMIGDPPR-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.16
Rot. Bonds4

About 8-[2-(3,5-dimethylphenoxy)acetyl]-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide

8-[2-(3,5-dimethylphenoxy)acetyl]-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide (PubChem CID 126824866) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 8-[2-(3,5-dimethylphenoxy)acetyl]-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-[2-(3,5-dimethylphenoxy)acetyl]-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide
PubChem CID126824866
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name8-[2-(3,5-dimethylphenoxy)acetyl]-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide
SMILESCc1cc(C)cc(OCC(=O)N2CCCc3ccc(C(N)=O)nc32)c1
InChIInChI=1S/C19H21N3O3/c1-12-8-13(2)10-15(9-12)25-11-17(23)22-7-3-4-14-5-6-16(18(20)24)21-19(14)22/h5-6,8-10H,3-4,7,11H2,1-2H3,(H2,20,24)
InChIKeyTVBKLZPMIGDPPR-UHFFFAOYSA-N
XLogP2.16
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(3,5-dimethylphenoxy)acetyl]-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide?
The IUPAC name of 8-[2-(3,5-dimethylphenoxy)acetyl]-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide (CID 126824866) is 8-[2-(3,5-dimethylphenoxy)acetyl]-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-[2-(3,5-dimethylphenoxy)acetyl]-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide?
The canonical SMILES for 8-[2-(3,5-dimethylphenoxy)acetyl]-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide is Cc1cc(C)cc(OCC(=O)N2CCCc3ccc(C(N)=O)nc32)c1.
What is the InChIKey of 8-[2-(3,5-dimethylphenoxy)acetyl]-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide?
The InChIKey is TVBKLZPMIGDPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-8-13(2)10-15(9-12)25-11-17(23)22-7-3-4-14-5-6-16(18(20)24)21-19(14)22/h5-6,8-10H,3-4,7,11H2,1-2H3,(H2,20,24).
What are the key properties of 8-[2-(3,5-dimethylphenoxy)acetyl]-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide?
8-[2-(3,5-dimethylphenoxy)acetyl]-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3,5-dimethylphenoxy)acetyl]-6,7-dihydro-5H-1,8-naphthyridine-2-carboxamide is sourced from PubChem (CID 126824866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).