2-amino-6-benzyl-4-(3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

C23H22N4O — CID 19256869

IUPAC2-amino-6-benzyl-4-(3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESCOc1cccc(-c2c(C#N)c(N)nc3c2CN(Cc2ccccc2)CC3)c1
InChIInChI=1S/C23H22N4O/c1-28-18-9-5-8-17(12-18)22-19(13-24)23(25)26-21-10-11-27(15-20(21)22)14-16-6-3-2-4-7-16/h2-9,12H,10-11,14-15H2,1H3,(H2,25,26)
InChIKeyJKWAODYEHUDNSQ-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.77
Rot. Bonds4

About 2-amino-6-benzyl-4-(3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile

2-amino-6-benzyl-4-(3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (PubChem CID 19256869) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-amino-6-benzyl-4-(3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-benzyl-4-(3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
PubChem CID19256869
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-amino-6-benzyl-4-(3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
SMILESCOc1cccc(-c2c(C#N)c(N)nc3c2CN(Cc2ccccc2)CC3)c1
InChIInChI=1S/C23H22N4O/c1-28-18-9-5-8-17(12-18)22-19(13-24)23(25)26-21-10-11-27(15-20(21)22)14-16-6-3-2-4-7-16/h2-9,12H,10-11,14-15H2,1H3,(H2,25,26)
InChIKeyJKWAODYEHUDNSQ-UHFFFAOYSA-N
XLogP3.77
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4635461
2-amino-4-(3-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4635643
6-[(3-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 3372797
2-amino-4-(2-ethylpyrimidin-5-yl)-6-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 56916344
2-[(4-fluorophenyl)methylsulfanyl]-4-(3-methoxyphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 23476042
2-amino-6-(3-chlorophenyl)-4-(3-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322466
12-benzyl-4-(3-methoxyphenyl)-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
CID 18955582
2-benzyl-7-methoxy-3,4-dihydro-1H-benzo[b][1,7]naphthyridin-5-amine
CID 10495879
6-[(3-chlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
CID 625687
6-acetyl-2-amino-4-[4-(pyrazol-1-ylmethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 169413678
(6R)-2-amino-4-[3-(2-hydroxyethoxy)phenyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 95542957
(3-methylphenyl) 2-[[3-cyano-4-(3-methoxyphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]acetate
CID 23476039

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-benzyl-4-(3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-benzyl-4-(3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (CID 19256869) is 2-amino-6-benzyl-4-(3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-benzyl-4-(3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-benzyl-4-(3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is COc1cccc(-c2c(C#N)c(N)nc3c2CN(Cc2ccccc2)CC3)c1.
What is the InChIKey of 2-amino-6-benzyl-4-(3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is JKWAODYEHUDNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-28-18-9-5-8-17(12-18)22-19(13-24)23(25)26-21-10-11-27(15-20(21)22)14-16-6-3-2-4-7-16/h2-9,12H,10-11,14-15H2,1H3,(H2,25,26).
What are the key properties of 2-amino-6-benzyl-4-(3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
2-amino-6-benzyl-4-(3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 370.46 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-benzyl-4-(3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 19256869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).