5-(pyridin-4-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine

C21H22N4O — CID 97463836

IUPAC5-(pyridin-4-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESc1ccc(CN2CCc3c(COCc4ccncc4)cncc3C2)nc1
InChIInChI=1S/C21H22N4O/c1-2-7-24-20(3-1)14-25-10-6-21-18(13-25)11-23-12-19(21)16-26-15-17-4-8-22-9-5-17/h1-5,7-9,11-12H,6,10,13-16H2
InChIKeyZVSZXFZNPMYEFQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.15
Rot. Bonds6

About 5-(pyridin-4-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine

5-(pyridin-4-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 97463836) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-(pyridin-4-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name5-(pyridin-4-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID97463836
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name5-(pyridin-4-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESc1ccc(CN2CCc3c(COCc4ccncc4)cncc3C2)nc1
InChIInChI=1S/C21H22N4O/c1-2-7-24-20(3-1)14-25-10-6-21-18(13-25)11-23-12-19(21)16-26-15-17-4-8-22-9-5-17/h1-5,7-9,11-12H,6,10,13-16H2
InChIKeyZVSZXFZNPMYEFQ-UHFFFAOYSA-N
XLogP3.15
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-4-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 5-(pyridin-4-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine (CID 97463836) is 5-(pyridin-4-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 5-(pyridin-4-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 5-(pyridin-4-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine is c1ccc(CN2CCc3c(COCc4ccncc4)cncc3C2)nc1.
What is the InChIKey of 5-(pyridin-4-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is ZVSZXFZNPMYEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-2-7-24-20(3-1)14-25-10-6-21-18(13-25)11-23-12-19(21)16-26-15-17-4-8-22-9-5-17/h1-5,7-9,11-12H,6,10,13-16H2.
What are the key properties of 5-(pyridin-4-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine?
5-(pyridin-4-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 346.43 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-4-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 97463836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).