methyl 4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazine-1-carboxylate

C28H29N5O2 — CID 118634364

IUPACmethyl 4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2cc3ccnc(NCc4ccc(-c5cccc(C)c5)cc4)c3cn2)CC1
InChIInChI=1S/C28H29N5O2/c1-20-4-3-5-23(16-20)22-8-6-21(7-9-22)18-31-27-25-19-30-26(17-24(25)10-11-29-27)32-12-14-33(15-13-32)28(34)35-2/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,29,31)
InChIKeyXWWWKWMPUWXQPF-UHFFFAOYSA-N
MW467.57 g/mol
LogP5.11
Rot. Bonds5

About methyl 4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazine-1-carboxylate

methyl 4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazine-1-carboxylate (PubChem CID 118634364) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is methyl 4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazine-1-carboxylate
PubChem CID118634364
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Namemethyl 4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2cc3ccnc(NCc4ccc(-c5cccc(C)c5)cc4)c3cn2)CC1
InChIInChI=1S/C28H29N5O2/c1-20-4-3-5-23(16-20)22-8-6-21(7-9-22)18-31-27-25-19-30-26(17-24(25)10-11-29-27)32-12-14-33(15-13-32)28(34)35-2/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,29,31)
InChIKeyXWWWKWMPUWXQPF-UHFFFAOYSA-N
XLogP5.11
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

1-[4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-1-yl]ethanone
CID 118634349
6-(2-methylmorpholin-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine
CID 118634351
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
6-(3-methylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]isoquinolin-1-amine
CID 118043574
3-(3-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 55742598
N-[[5-methyl-6-(3-methylphenyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
CID 118634361
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylisoquinolin-1-amine
CID 71617873
furan-2-yl-[4-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112890442
2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]acetamide
CID 146103606
N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine
CID 174650721
methyl 4-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate
CID 10087118

Frequently Asked Questions

What is the IUPAC name of methyl 4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazine-1-carboxylate (CID 118634364) is methyl 4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazine-1-carboxylate is COC(=O)N1CCN(c2cc3ccnc(NCc4ccc(-c5cccc(C)c5)cc4)c3cn2)CC1.
What is the InChIKey of methyl 4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazine-1-carboxylate?
The InChIKey is XWWWKWMPUWXQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-20-4-3-5-23(16-20)22-8-6-21(7-9-22)18-31-27-25-19-30-26(17-24(25)10-11-29-27)32-12-14-33(15-13-32)28(34)35-2/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,29,31).
What are the key properties of methyl 4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazine-1-carboxylate?
methyl 4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazine-1-carboxylate has a molecular weight of 467.57 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 118634364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).