3-(2-methoxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C17H25N5O — CID 4888006

IUPAC3-(2-methoxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCOCCNc1nc(N2CCCC2)c2c(c1C#N)CCN(C)C2
InChIInChI=1S/C17H25N5O/c1-21-9-5-13-14(11-18)16(19-6-10-23-2)20-17(15(13)12-21)22-7-3-4-8-22/h3-10,12H2,1-2H3,(H,19,20)
InChIKeyOQXBWFYHXTZWJM-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.60
Rot. Bonds5

About 3-(2-methoxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

3-(2-methoxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 4888006) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-(2-methoxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-methoxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID4888006
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name3-(2-methoxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCOCCNc1nc(N2CCCC2)c2c(c1C#N)CCN(C)C2
InChIInChI=1S/C17H25N5O/c1-21-9-5-13-14(11-18)16(19-6-10-23-2)20-17(15(13)12-21)22-7-3-4-8-22/h3-10,12H2,1-2H3,(H,19,20)
InChIKeyOQXBWFYHXTZWJM-UHFFFAOYSA-N
XLogP1.60
TPSA64.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 3-(2-methoxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 4888006) is 3-(2-methoxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 3-(2-methoxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 3-(2-methoxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is COCCNc1nc(N2CCCC2)c2c(c1C#N)CCN(C)C2.
What is the InChIKey of 3-(2-methoxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is OQXBWFYHXTZWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-21-9-5-13-14(11-18)16(19-6-10-23-2)20-17(15(13)12-21)22-7-3-4-8-22/h3-10,12H2,1-2H3,(H,19,20).
What are the key properties of 3-(2-methoxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
3-(2-methoxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 315.42 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 4888006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).