4-(5-pyridin-3-yloxy-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)benzaldehyde

C20H17N3O2 — CID 143576095

IUPAC4-(5-pyridin-3-yloxy-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)benzaldehyde
SMILESO=Cc1ccc(-c2cnc3c(c2)C(Oc2cccnc2)CCN3)cc1
InChIInChI=1S/C20H17N3O2/c24-13-14-3-5-15(6-4-14)16-10-18-19(7-9-22-20(18)23-11-16)25-17-2-1-8-21-12-17/h1-6,8,10-13,19H,7,9H2,(H,22,23)
InChIKeyAPDHKHJMIPEZRM-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.89
Rot. Bonds4

About 4-(5-pyridin-3-yloxy-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)benzaldehyde

4-(5-pyridin-3-yloxy-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)benzaldehyde (PubChem CID 143576095) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-(5-pyridin-3-yloxy-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)benzaldehyde.

Molecular Properties

Compound Name4-(5-pyridin-3-yloxy-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)benzaldehyde
PubChem CID143576095
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name4-(5-pyridin-3-yloxy-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)benzaldehyde
SMILESO=Cc1ccc(-c2cnc3c(c2)C(Oc2cccnc2)CCN3)cc1
InChIInChI=1S/C20H17N3O2/c24-13-14-3-5-15(6-4-14)16-10-18-19(7-9-22-20(18)23-11-16)25-17-2-1-8-21-12-17/h1-6,8,10-13,19H,7,9H2,(H,22,23)
InChIKeyAPDHKHJMIPEZRM-UHFFFAOYSA-N
XLogP3.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-piperidin-4-yloxypyridine;dihydrochloride
CID 22989727
3-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 70102226
3-cycloheptyloxypyridine
CID 112558615
4-[4-(cyclopropylmethoxy)phenyl]benzaldehyde
CID 131887316
4-(4-pyridin-3-ylphenoxy)cyclohexan-1-one
CID 117051630
3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yloxy)benzaldehyde
CID 117046648
3-[[(2R)-azetidin-2-yl]methoxy]pyridine;dihydrochloride
CID 18391704
2-piperidin-4-yloxy-5-pyridin-3-ylpyrimidine
CID 67530584
2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde
CID 145269302
4-[(2-oxopiperidin-4-yl)methoxy]benzaldehyde
CID 117052632
pyridin-3-yloxymethyl formate
CID 89313948
3-pyridin-3-yloxycyclobutan-1-one
CID 66368093

Frequently Asked Questions

What is the IUPAC name of 4-(5-pyridin-3-yloxy-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)benzaldehyde?
The IUPAC name of 4-(5-pyridin-3-yloxy-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)benzaldehyde (CID 143576095) is 4-(5-pyridin-3-yloxy-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)benzaldehyde.
What is the SMILES notation for 4-(5-pyridin-3-yloxy-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)benzaldehyde?
The canonical SMILES for 4-(5-pyridin-3-yloxy-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)benzaldehyde is O=Cc1ccc(-c2cnc3c(c2)C(Oc2cccnc2)CCN3)cc1.
What is the InChIKey of 4-(5-pyridin-3-yloxy-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)benzaldehyde?
The InChIKey is APDHKHJMIPEZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-13-14-3-5-15(6-4-14)16-10-18-19(7-9-22-20(18)23-11-16)25-17-2-1-8-21-12-17/h1-6,8,10-13,19H,7,9H2,(H,22,23).
What are the key properties of 4-(5-pyridin-3-yloxy-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)benzaldehyde?
4-(5-pyridin-3-yloxy-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)benzaldehyde has a molecular weight of 331.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyridin-3-yloxy-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)benzaldehyde is sourced from PubChem (CID 143576095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).