3-(3-methoxyphenyl)-N-[4-(1-methylpiperidin-4-yl)phenyl]-7,8-dihydro-2,7-naphthyridin-1-amine

C27H30N4O — CID 68613652

IUPAC3-(3-methoxyphenyl)-N-[4-(1-methylpiperidin-4-yl)phenyl]-7,8-dihydro-2,7-naphthyridin-1-amine
SMILESCOc1cccc(-c2cc3c(c(Nc4ccc(C5CCN(C)CC5)cc4)n2)CNC=C3)c1
InChIInChI=1S/C27H30N4O/c1-31-14-11-20(12-15-31)19-6-8-23(9-7-19)29-27-25-18-28-13-10-21(25)17-26(30-27)22-4-3-5-24(16-22)32-2/h3-10,13,16-17,20,28H,11-12,14-15,18H2,1-2H3,(H,29,30)
InChIKeyCUOLXMLZCWVEPB-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.38
Rot. Bonds5

About 3-(3-methoxyphenyl)-N-[4-(1-methylpiperidin-4-yl)phenyl]-7,8-dihydro-2,7-naphthyridin-1-amine

3-(3-methoxyphenyl)-N-[4-(1-methylpiperidin-4-yl)phenyl]-7,8-dihydro-2,7-naphthyridin-1-amine (PubChem CID 68613652) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[4-(1-methylpiperidin-4-yl)phenyl]-7,8-dihydro-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[4-(1-methylpiperidin-4-yl)phenyl]-7,8-dihydro-2,7-naphthyridin-1-amine
PubChem CID68613652
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC Name3-(3-methoxyphenyl)-N-[4-(1-methylpiperidin-4-yl)phenyl]-7,8-dihydro-2,7-naphthyridin-1-amine
SMILESCOc1cccc(-c2cc3c(c(Nc4ccc(C5CCN(C)CC5)cc4)n2)CNC=C3)c1
InChIInChI=1S/C27H30N4O/c1-31-14-11-20(12-15-31)19-6-8-23(9-7-19)29-27-25-18-28-13-10-21(25)17-26(30-27)22-4-3-5-24(16-22)32-2/h3-10,13,16-17,20,28H,11-12,14-15,18H2,1-2H3,(H,29,30)
InChIKeyCUOLXMLZCWVEPB-UHFFFAOYSA-N
XLogP5.38
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3-methoxyphenyl)-N-[4-(1-methylpiperidin-4-yl)phenyl]-7,8-dihydro-2,7-naphthyridin-1-amine with MolForge

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Related Compounds

6-(3-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612068
8-[4-(1-methylpiperidin-4-yl)anilino]-6-[3-(trifluoromethoxy)phenyl]-2H-2,7-naphthyridin-1-one
CID 58093773
6-(2-aminopyrimidin-5-yl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612113
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
3-(6-methoxypyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine
CID 68612814
6-(2-methoxypyrimidin-5-yl)-8-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626784
8-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-6-(2-methoxypyrimidin-5-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 175269441
6-(3-hydroxyphenyl)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626845
8-[4-(1-methylpiperidin-4-yl)anilino]-6-(6-methyl-3-pyridinyl)-2H-2,7-naphthyridin-1-one
CID 58094511
6-(2,4-dimethoxypyrimidin-5-yl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one
CID 66888290
8-[4-(1-acetylpiperidin-4-yl)anilino]-6-pyrimidin-5-yl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 175269454
2-(3-methoxyphenyl)-6-(1-methylpiperidin-3-yl)pyridine
CID 110249259

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[4-(1-methylpiperidin-4-yl)phenyl]-7,8-dihydro-2,7-naphthyridin-1-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N-[4-(1-methylpiperidin-4-yl)phenyl]-7,8-dihydro-2,7-naphthyridin-1-amine (CID 68613652) is 3-(3-methoxyphenyl)-N-[4-(1-methylpiperidin-4-yl)phenyl]-7,8-dihydro-2,7-naphthyridin-1-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[4-(1-methylpiperidin-4-yl)phenyl]-7,8-dihydro-2,7-naphthyridin-1-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[4-(1-methylpiperidin-4-yl)phenyl]-7,8-dihydro-2,7-naphthyridin-1-amine is COc1cccc(-c2cc3c(c(Nc4ccc(C5CCN(C)CC5)cc4)n2)CNC=C3)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[4-(1-methylpiperidin-4-yl)phenyl]-7,8-dihydro-2,7-naphthyridin-1-amine?
The InChIKey is CUOLXMLZCWVEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O/c1-31-14-11-20(12-15-31)19-6-8-23(9-7-19)29-27-25-18-28-13-10-21(25)17-26(30-27)22-4-3-5-24(16-22)32-2/h3-10,13,16-17,20,28H,11-12,14-15,18H2,1-2H3,(H,29,30).
What are the key properties of 3-(3-methoxyphenyl)-N-[4-(1-methylpiperidin-4-yl)phenyl]-7,8-dihydro-2,7-naphthyridin-1-amine?
3-(3-methoxyphenyl)-N-[4-(1-methylpiperidin-4-yl)phenyl]-7,8-dihydro-2,7-naphthyridin-1-amine has a molecular weight of 426.56 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[4-(1-methylpiperidin-4-yl)phenyl]-7,8-dihydro-2,7-naphthyridin-1-amine is sourced from PubChem (CID 68613652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).