[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1-methylpyrrol-2-yl)methanone

C16H19N3O2 — CID 97381920

IUPAC[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCOCc1cncc2c1CCN(C(=O)c1cccn1C)C2
InChIInChI=1S/C16H19N3O2/c1-18-6-3-4-15(18)16(20)19-7-5-14-12(10-19)8-17-9-13(14)11-21-2/h3-4,6,8-9H,5,7,10-11H2,1-2H3
InChIKeyZMYMRVTYRDPQMM-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.76
Rot. Bonds3

About [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1-methylpyrrol-2-yl)methanone

[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 97381920) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID97381920
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCOCc1cncc2c1CCN(C(=O)c1cccn1C)C2
InChIInChI=1S/C16H19N3O2/c1-18-6-3-4-15(18)16(20)19-7-5-14-12(10-19)8-17-9-13(14)11-21-2/h3-4,6,8-9H,5,7,10-11H2,1-2H3
InChIKeyZMYMRVTYRDPQMM-UHFFFAOYSA-N
XLogP1.76
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1-methylpyrrol-2-yl)methanone (CID 97381920) is [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1-methylpyrrol-2-yl)methanone is COCc1cncc2c1CCN(C(=O)c1cccn1C)C2.
What is the InChIKey of [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is ZMYMRVTYRDPQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-18-6-3-4-15(18)16(20)19-7-5-14-12(10-19)8-17-9-13(14)11-21-2/h3-4,6,8-9H,5,7,10-11H2,1-2H3.
What are the key properties of [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1-methylpyrrol-2-yl)methanone?
[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 97381920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).