7-methyl-N-[[2,4,6-trimethyl-3,5-bis[[(7-methyl-1,5-naphthyridin-2-yl)amino]methyl]phenyl]methyl]-1,5-naphthyridin-2-amine

C39H39N9 — CID 87498676

IUPAC7-methyl-N-[[2,4,6-trimethyl-3,5-bis[[(7-methyl-1,5-naphthyridin-2-yl)amino]methyl]phenyl]methyl]-1,5-naphthyridin-2-amine
SMILESCc1cnc2ccc(NCc3c(C)c(CNc4ccc5ncc(C)cc5n4)c(C)c(CNc4ccc5ncc(C)cc5n4)c3C)nc2c1
InChIInChI=1S/C39H39N9/c1-22-13-34-31(40-16-22)7-10-37(46-34)43-19-28-25(4)29(20-44-38-11-8-32-35(47-38)14-23(2)17-41-32)27(6)30(26(28)5)21-45-39-12-9-33-36(48-39)15-24(3)18-42-33/h7-18H,19-21H2,1-6H3,(H,43,46)(H,44,47)(H,45,48)
InChIKeyRTDUQVQDTSGRRK-UHFFFAOYSA-N
MW633.80 g/mol
LogP8.20
Rot. Bonds9

About 7-methyl-N-[[2,4,6-trimethyl-3,5-bis[[(7-methyl-1,5-naphthyridin-2-yl)amino]methyl]phenyl]methyl]-1,5-naphthyridin-2-amine

7-methyl-N-[[2,4,6-trimethyl-3,5-bis[[(7-methyl-1,5-naphthyridin-2-yl)amino]methyl]phenyl]methyl]-1,5-naphthyridin-2-amine (PubChem CID 87498676) has the molecular formula C39H39N9 and a molecular weight of 633.80 g/mol. Its IUPAC name is 7-methyl-N-[[2,4,6-trimethyl-3,5-bis[[(7-methyl-1,5-naphthyridin-2-yl)amino]methyl]phenyl]methyl]-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-methyl-N-[[2,4,6-trimethyl-3,5-bis[[(7-methyl-1,5-naphthyridin-2-yl)amino]methyl]phenyl]methyl]-1,5-naphthyridin-2-amine
PubChem CID87498676
Molecular FormulaC39H39N9
Molecular Weight633.80 g/mol
Exact Mass633.33
IUPAC Name7-methyl-N-[[2,4,6-trimethyl-3,5-bis[[(7-methyl-1,5-naphthyridin-2-yl)amino]methyl]phenyl]methyl]-1,5-naphthyridin-2-amine
SMILESCc1cnc2ccc(NCc3c(C)c(CNc4ccc5ncc(C)cc5n4)c(C)c(CNc4ccc5ncc(C)cc5n4)c3C)nc2c1
InChIInChI=1S/C39H39N9/c1-22-13-34-31(40-16-22)7-10-37(46-34)43-19-28-25(4)29(20-44-38-11-8-32-35(47-38)14-23(2)17-41-32)27(6)30(26(28)5)21-45-39-12-9-33-36(48-39)15-24(3)18-42-33/h7-18H,19-21H2,1-6H3,(H,43,46)(H,44,47)(H,45,48)
InChIKeyRTDUQVQDTSGRRK-UHFFFAOYSA-N
XLogP8.20
TPSA113.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.80
LogP ≤ 58.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-methyl-N-[[2,4,6-trimethyl-3,5-bis[[(7-methyl-1,5-naphthyridin-2-yl)amino]methyl]phenyl]methyl]-1,5-naphthyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[[2,4,6-trimethyl-3,5-bis[[(7-methyl-1,5-naphthyridin-2-yl)amino]methyl]phenyl]methyl]-1,5-naphthyridin-2-amine?
The IUPAC name of 7-methyl-N-[[2,4,6-trimethyl-3,5-bis[[(7-methyl-1,5-naphthyridin-2-yl)amino]methyl]phenyl]methyl]-1,5-naphthyridin-2-amine (CID 87498676) is 7-methyl-N-[[2,4,6-trimethyl-3,5-bis[[(7-methyl-1,5-naphthyridin-2-yl)amino]methyl]phenyl]methyl]-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-methyl-N-[[2,4,6-trimethyl-3,5-bis[[(7-methyl-1,5-naphthyridin-2-yl)amino]methyl]phenyl]methyl]-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-methyl-N-[[2,4,6-trimethyl-3,5-bis[[(7-methyl-1,5-naphthyridin-2-yl)amino]methyl]phenyl]methyl]-1,5-naphthyridin-2-amine is Cc1cnc2ccc(NCc3c(C)c(CNc4ccc5ncc(C)cc5n4)c(C)c(CNc4ccc5ncc(C)cc5n4)c3C)nc2c1.
What is the InChIKey of 7-methyl-N-[[2,4,6-trimethyl-3,5-bis[[(7-methyl-1,5-naphthyridin-2-yl)amino]methyl]phenyl]methyl]-1,5-naphthyridin-2-amine?
The InChIKey is RTDUQVQDTSGRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H39N9/c1-22-13-34-31(40-16-22)7-10-37(46-34)43-19-28-25(4)29(20-44-38-11-8-32-35(47-38)14-23(2)17-41-32)27(6)30(26(28)5)21-45-39-12-9-33-36(48-39)15-24(3)18-42-33/h7-18H,19-21H2,1-6H3,(H,43,46)(H,44,47)(H,45,48).
What are the key properties of 7-methyl-N-[[2,4,6-trimethyl-3,5-bis[[(7-methyl-1,5-naphthyridin-2-yl)amino]methyl]phenyl]methyl]-1,5-naphthyridin-2-amine?
7-methyl-N-[[2,4,6-trimethyl-3,5-bis[[(7-methyl-1,5-naphthyridin-2-yl)amino]methyl]phenyl]methyl]-1,5-naphthyridin-2-amine has a molecular weight of 633.80 g/mol, XLogP of 8.20, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[[2,4,6-trimethyl-3,5-bis[[(7-methyl-1,5-naphthyridin-2-yl)amino]methyl]phenyl]methyl]-1,5-naphthyridin-2-amine is sourced from PubChem (CID 87498676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).