(6-phenyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate

C22H17N3O2 — CID 46908486

IUPAC(6-phenyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate
SMILESCc1nc2ncccc2cc1C(=O)OCc1ccc(-c2ccccc2)nc1
InChIInChI=1S/C22H17N3O2/c1-15-19(12-18-8-5-11-23-21(18)25-15)22(26)27-14-16-9-10-20(24-13-16)17-6-3-2-4-7-17/h2-13H,14H2,1H3
InChIKeyZLLSJANUCUESFK-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.36
Rot. Bonds4

About (6-phenyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate

(6-phenyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 46908486) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is (6-phenyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name(6-phenyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID46908486
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name(6-phenyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate
SMILESCc1nc2ncccc2cc1C(=O)OCc1ccc(-c2ccccc2)nc1
InChIInChI=1S/C22H17N3O2/c1-15-19(12-18-8-5-11-23-21(18)25-15)22(26)27-14-16-9-10-20(24-13-16)17-6-3-2-4-7-17/h2-13H,14H2,1H3
InChIKeyZLLSJANUCUESFK-UHFFFAOYSA-N
XLogP4.36
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-phenyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of (6-phenyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate (CID 46908486) is (6-phenyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for (6-phenyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for (6-phenyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate is Cc1nc2ncccc2cc1C(=O)OCc1ccc(-c2ccccc2)nc1.
What is the InChIKey of (6-phenyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is ZLLSJANUCUESFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-15-19(12-18-8-5-11-23-21(18)25-15)22(26)27-14-16-9-10-20(24-13-16)17-6-3-2-4-7-17/h2-13H,14H2,1H3.
What are the key properties of (6-phenyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate?
(6-phenyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 355.40 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 46908486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).