6-(2-methylmorpholin-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine

C27H28N4O — CID 118634351

IUPAC6-(2-methylmorpholin-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine
SMILESCc1cccc(-c2ccc(CNc3nccc4cc(N5CCOC(C)C5)ncc34)cc2)c1
InChIInChI=1S/C27H28N4O/c1-19-4-3-5-23(14-19)22-8-6-21(7-9-22)16-30-27-25-17-29-26(15-24(25)10-11-28-27)31-12-13-32-20(2)18-31/h3-11,14-15,17,20H,12-13,16,18H2,1-2H3,(H,28,30)
InChIKeyPXWYYEHNIGEHGU-UHFFFAOYSA-N
MW424.55 g/mol
LogP5.44
Rot. Bonds5

About 6-(2-methylmorpholin-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine

6-(2-methylmorpholin-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine (PubChem CID 118634351) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is 6-(2-methylmorpholin-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name6-(2-methylmorpholin-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine
PubChem CID118634351
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC Name6-(2-methylmorpholin-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine
SMILESCc1cccc(-c2ccc(CNc3nccc4cc(N5CCOC(C)C5)ncc34)cc2)c1
InChIInChI=1S/C27H28N4O/c1-19-4-3-5-23(14-19)22-8-6-21(7-9-22)16-30-27-25-17-29-26(15-24(25)10-11-28-27)31-12-13-32-20(2)18-31/h3-11,14-15,17,20H,12-13,16,18H2,1-2H3,(H,28,30)
InChIKeyPXWYYEHNIGEHGU-UHFFFAOYSA-N
XLogP5.44
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]isoquinolin-1-amine
CID 166239118
1-[4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-1-yl]ethanone
CID 118634349
methyl 4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazine-1-carboxylate
CID 118634364
N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine
CID 118634299
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(1-oxo-1,4-thiazinan-4-yl)-2,7-naphthyridin-1-amine
CID 144727335
N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyridin-2-amine
CID 75423987
6-(3-methylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]isoquinolin-1-amine
CID 118043574
2,3,5,6-tetrafluoro-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridin-4-amine
CID 133338770
1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56815402
7-chloro-N-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]quinolin-4-amine
CID 94424908
2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111049255
5-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 120969668

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylmorpholin-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine?
The IUPAC name of 6-(2-methylmorpholin-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine (CID 118634351) is 6-(2-methylmorpholin-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine.
What is the SMILES notation for 6-(2-methylmorpholin-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine?
The canonical SMILES for 6-(2-methylmorpholin-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine is Cc1cccc(-c2ccc(CNc3nccc4cc(N5CCOC(C)C5)ncc34)cc2)c1.
What is the InChIKey of 6-(2-methylmorpholin-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine?
The InChIKey is PXWYYEHNIGEHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-19-4-3-5-23(14-19)22-8-6-21(7-9-22)16-30-27-25-17-29-26(15-24(25)10-11-28-27)31-12-13-32-20(2)18-31/h3-11,14-15,17,20H,12-13,16,18H2,1-2H3,(H,28,30).
What are the key properties of 6-(2-methylmorpholin-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine?
6-(2-methylmorpholin-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine has a molecular weight of 424.55 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylmorpholin-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine is sourced from PubChem (CID 118634351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).