6-(6-methoxy-2-pyridinyl)-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine

C21H28N4O2 — CID 68624694

IUPAC6-(6-methoxy-2-pyridinyl)-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCOc1cccc(N2CCc3nc(OCCCN4CCCC4)ccc3C2)n1
InChIInChI=1S/C21H28N4O2/c1-26-20-7-4-6-19(23-20)25-14-10-18-17(16-25)8-9-21(22-18)27-15-5-13-24-11-2-3-12-24/h4,6-9H,2-3,5,10-16H2,1H3
InChIKeyKHNKGRCUQYLHKH-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.91
Rot. Bonds7

About 6-(6-methoxy-2-pyridinyl)-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine

6-(6-methoxy-2-pyridinyl)-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 68624694) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 6-(6-methoxy-2-pyridinyl)-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-(6-methoxy-2-pyridinyl)-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID68624694
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name6-(6-methoxy-2-pyridinyl)-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCOc1cccc(N2CCc3nc(OCCCN4CCCC4)ccc3C2)n1
InChIInChI=1S/C21H28N4O2/c1-26-20-7-4-6-19(23-20)25-14-10-18-17(16-25)8-9-21(22-18)27-15-5-13-24-11-2-3-12-24/h4,6-9H,2-3,5,10-16H2,1H3
InChIKeyKHNKGRCUQYLHKH-UHFFFAOYSA-N
XLogP2.91
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[5-(4-methoxyphenoxy)pyrimidin-2-yl]-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine
CID 68624740
6-pyridin-3-yl-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine
CID 141125990
N,N-dimethyl-6-[2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-sulfonamide
CID 68624138
1-(2-chloroethyl)-4-(6-methoxy-2-pyridinyl)-1,4-diazepane
CID 63587438
2-(3-pyrrolidin-1-ylpropoxy)quinoline
CID 141047527
ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 145047554
ethane;2-methoxy-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 145047599
6-methoxy-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 63589886
2-methoxy-6-(4-methylidenepiperidin-1-yl)pyridine
CID 175648058
2-[4-[4-[6-(4-methylphenoxy)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline
CID 139670744
N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 63984106
2-(4,4-difluoropiperidin-1-yl)-6-methoxypyridine
CID 169116672

Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-2-pyridinyl)-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-(6-methoxy-2-pyridinyl)-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine (CID 68624694) is 6-(6-methoxy-2-pyridinyl)-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-(6-methoxy-2-pyridinyl)-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-(6-methoxy-2-pyridinyl)-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine is COc1cccc(N2CCc3nc(OCCCN4CCCC4)ccc3C2)n1.
What is the InChIKey of 6-(6-methoxy-2-pyridinyl)-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is KHNKGRCUQYLHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-26-20-7-4-6-19(23-20)25-14-10-18-17(16-25)8-9-21(22-18)27-15-5-13-24-11-2-3-12-24/h4,6-9H,2-3,5,10-16H2,1H3.
What are the key properties of 6-(6-methoxy-2-pyridinyl)-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine?
6-(6-methoxy-2-pyridinyl)-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 368.48 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-2-pyridinyl)-2-(3-pyrrolidin-1-ylpropoxy)-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 68624694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).