2-amino-4-[4-[3-(dimethylamino)propoxy]phenyl]-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile

C20H25N5O — CID 56884364

IUPAC2-amino-4-[4-[3-(dimethylamino)propoxy]phenyl]-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
SMILESCN(C)CCCOc1ccc(-c2c(C#N)c(N)nc3c2CNCC3)cc1
InChIInChI=1S/C20H25N5O/c1-25(2)10-3-11-26-15-6-4-14(5-7-15)19-16(12-21)20(22)24-18-8-9-23-13-17(18)19/h4-7,23H,3,8-11,13H2,1-2H3,(H2,22,24)
InChIKeyDPSZRRGPTLRCEW-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.18
Rot. Bonds6

About 2-amino-4-[4-[3-(dimethylamino)propoxy]phenyl]-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile

2-amino-4-[4-[3-(dimethylamino)propoxy]phenyl]-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile (PubChem CID 56884364) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-amino-4-[4-[3-(dimethylamino)propoxy]phenyl]-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[4-[3-(dimethylamino)propoxy]phenyl]-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
PubChem CID56884364
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name2-amino-4-[4-[3-(dimethylamino)propoxy]phenyl]-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
SMILESCN(C)CCCOc1ccc(-c2c(C#N)c(N)nc3c2CNCC3)cc1
InChIInChI=1S/C20H25N5O/c1-25(2)10-3-11-26-15-6-4-14(5-7-15)19-16(12-21)20(22)24-18-8-9-23-13-17(18)19/h4-7,23H,3,8-11,13H2,1-2H3,(H2,22,24)
InChIKeyDPSZRRGPTLRCEW-UHFFFAOYSA-N
XLogP2.18
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(4-ethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636159
2-amino-4-(4-heptoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3277776
2-amino-6-phenyl-4-(4-propoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3290835
2-amino-4-(3-cyclopentyloxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
CID 56889712
2-amino-4-(5-chloro-2-prop-2-enoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
CID 56899428
2-amino-6-benzylsulfanyl-4-[4-[2-(dimethylamino)ethoxy]phenyl]pyridine-3,5-dicarbonitrile
CID 68706205
2-amino-4-(4-cyanophenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 5192069
2-amino-4-(4-ethylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636171
2-amino-6-ethyl-4-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3255838
2-amino-4-(1,5-dimethylindol-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
CID 56908852
2-amino-4-(5-cyclohexyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
CID 56900902
2-amino-4-[6-(dimethylamino)-3-pyridinyl]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 56886021

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-[3-(dimethylamino)propoxy]phenyl]-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-[4-[3-(dimethylamino)propoxy]phenyl]-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile (CID 56884364) is 2-amino-4-[4-[3-(dimethylamino)propoxy]phenyl]-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[4-[3-(dimethylamino)propoxy]phenyl]-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-[4-[3-(dimethylamino)propoxy]phenyl]-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile is CN(C)CCCOc1ccc(-c2c(C#N)c(N)nc3c2CNCC3)cc1.
What is the InChIKey of 2-amino-4-[4-[3-(dimethylamino)propoxy]phenyl]-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The InChIKey is DPSZRRGPTLRCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-25(2)10-3-11-26-15-6-4-14(5-7-15)19-16(12-21)20(22)24-18-8-9-23-13-17(18)19/h4-7,23H,3,8-11,13H2,1-2H3,(H2,22,24).
What are the key properties of 2-amino-4-[4-[3-(dimethylamino)propoxy]phenyl]-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
2-amino-4-[4-[3-(dimethylamino)propoxy]phenyl]-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile has a molecular weight of 351.45 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-[3-(dimethylamino)propoxy]phenyl]-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 56884364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).