[5-(pyridin-3-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1H-pyrrol-2-yl)methanone

C20H20N4O2 — CID 97389692

IUPAC[5-(pyridin-3-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CCc2c(COCc3cccnc3)cncc2C1
InChIInChI=1S/C20H20N4O2/c25-20(19-4-2-7-23-19)24-8-5-18-16(12-24)10-22-11-17(18)14-26-13-15-3-1-6-21-9-15/h1-4,6-7,9-11,23H,5,8,12-14H2
InChIKeyHJEHKNDFXQNSPB-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.72
Rot. Bonds5

About [5-(pyridin-3-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1H-pyrrol-2-yl)methanone

[5-(pyridin-3-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 97389692) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is [5-(pyridin-3-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[5-(pyridin-3-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID97389692
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name[5-(pyridin-3-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CCc2c(COCc3cccnc3)cncc2C1
InChIInChI=1S/C20H20N4O2/c25-20(19-4-2-7-23-19)24-8-5-18-16(12-24)10-22-11-17(18)14-26-13-15-3-1-6-21-9-15/h1-4,6-7,9-11,23H,5,8,12-14H2
InChIKeyHJEHKNDFXQNSPB-UHFFFAOYSA-N
XLogP2.72
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(pyridin-3-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1H-pyrrol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

furan-2-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 97381988
N-[[7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
CID 97389727
5-(pyridin-3-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;bis(2,2,2-trifluoroacetic acid)
CID 171689858
5-(pyridin-3-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tetrakis(2,2,2-trifluoroacetic acid)
CID 155862215
(2-methylfuran-3-yl)-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 97406098
5-(methoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine
CID 97381914
[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1-methylpyrrol-2-yl)methanone
CID 97381920
2-methoxy-1-[5-(pyridin-2-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 97463848
1-(3-pyridin-3-ylpropyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56723345
pyridin-3-yl-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808493
1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 97463707
5-(prop-2-enoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid)
CID 155832693

Frequently Asked Questions

What is the IUPAC name of [5-(pyridin-3-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [5-(pyridin-3-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1H-pyrrol-2-yl)methanone (CID 97389692) is [5-(pyridin-3-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [5-(pyridin-3-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [5-(pyridin-3-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)N1CCc2c(COCc3cccnc3)cncc2C1.
What is the InChIKey of [5-(pyridin-3-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is HJEHKNDFXQNSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(19-4-2-7-23-19)24-8-5-18-16(12-24)10-22-11-17(18)14-26-13-15-3-1-6-21-9-15/h1-4,6-7,9-11,23H,5,8,12-14H2.
What are the key properties of [5-(pyridin-3-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1H-pyrrol-2-yl)methanone?
[5-(pyridin-3-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 348.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(pyridin-3-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 97389692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).