3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one

C20H17N3O2 — CID 57415342

IUPAC3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one
SMILESO=C1c2cc(OCc3ccccc3)cnc2CCN1c1cccnc1
InChIInChI=1S/C20H17N3O2/c24-20-18-11-17(25-14-15-5-2-1-3-6-15)13-22-19(18)8-10-23(20)16-7-4-9-21-12-16/h1-7,9,11-13H,8,10,14H2
InChIKeySMYXCTSNIFRMBE-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.26
Rot. Bonds4

About 3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one

3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 57415342) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID57415342
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one
SMILESO=C1c2cc(OCc3ccccc3)cnc2CCN1c1cccnc1
InChIInChI=1S/C20H17N3O2/c24-20-18-11-17(25-14-15-5-2-1-3-6-15)13-22-19(18)8-10-23(20)16-7-4-9-21-12-16/h1-7,9,11-13H,8,10,14H2
InChIKeySMYXCTSNIFRMBE-UHFFFAOYSA-N
XLogP3.26
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 53247348
5-(5-fluoro-3-pyridinyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 53247472
2-pyridin-3-yl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 69242235
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
5-phenylmethoxypyridin-3-amine
CID 22989735
2-pyridin-3-yl-5-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
CID 118517941
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
3-[5-(5-chloro-2-phenylmethoxyphenyl)imidazol-1-yl]pyridine
CID 70926048
(3R)-3-amino-1-(3-phenylmethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 135389134
3-(5-chloro-4-phenylmethoxypyrazol-1-yl)pyridine
CID 117232501
3-phenylmethoxy-5-[(1S,2S)-2-(pyridin-3-yloxymethyl)cyclopropyl]pyridine
CID 68612157
3,5-bis(phenylmethoxy)pyridine-2-carboxylic acid
CID 53487995

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one (CID 57415342) is 3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one is O=C1c2cc(OCc3ccccc3)cnc2CCN1c1cccnc1.
What is the InChIKey of 3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is SMYXCTSNIFRMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-20-18-11-17(25-14-15-5-2-1-3-6-15)13-22-19(18)8-10-23(20)16-7-4-9-21-12-16/h1-7,9,11-13H,8,10,14H2.
What are the key properties of 3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one?
3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 331.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-6-pyridin-3-yl-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 57415342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).