1-N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-[2-methyl-6-(methylamino)phenyl]-2,6-naphthyridine-1,7-diamine

C28H29Cl2N5O2 — CID 142380892

About 1-N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-[2-methyl-6-(methylamino)phenyl]-2,6-naphthyridine-1,7-diamine

1-N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-[2-methyl-6-(methylamino)phenyl]-2,6-naphthyridine-1,7-diamine (PubChem CID 142380892) has the molecular formula C28H29Cl2N5O2 and a molecular weight of 538.48 g/mol. Its IUPAC name is 1-N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-[2-methyl-6-(methylamino)phenyl]-2,6-naphthyridine-1,7-diamine.

Molecular Properties

• Compound Name: 1-N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-[2-methyl-6-(methylamino)phenyl]-2,6-naphthyridine-1,7-diamine
• PubChem CID: 142380892
• Molecular Formula: C28H29Cl2N5O2
• Molecular Weight: 538.48 g/mol
• Exact Mass: 537.17
• IUPAC Name: 1-N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-[2-methyl-6-(methylamino)phenyl]-2,6-naphthyridine-1,7-diamine
• SMILES: CNc1cccc(C)c1Nc1cc2c(NCC3CC3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1
• InChI: InChI=1S/C28H29Cl2N5O2/c1-15-6-5-7-19(31-2)27(15)35-23-11-18-17(14-32-23)10-20(34-28(18)33-13-16-8-9-16)24-25(29)21(36-3)12-22(37-4)26(24)30/h5-7,10-12,14,16,31H,8-9,13H2,1-4H3,(H,32,35)(H,33,34)
• InChIKey: SVQFPIFKGYZENA-UHFFFAOYSA-N
• XLogP: 7.54
• TPSA: 80.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.48
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-[2-methyl-6-(methylamino)phenyl]-2,6-naphthyridine-1,7-diamine?

The IUPAC name of 1-N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-[2-methyl-6-(methylamino)phenyl]-2,6-naphthyridine-1,7-diamine (CID 142380892) is 1-N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-[2-methyl-6-(methylamino)phenyl]-2,6-naphthyridine-1,7-diamine.

What is the SMILES notation for 1-N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-[2-methyl-6-(methylamino)phenyl]-2,6-naphthyridine-1,7-diamine?

The canonical SMILES for 1-N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-[2-methyl-6-(methylamino)phenyl]-2,6-naphthyridine-1,7-diamine is CNc1cccc(C)c1Nc1cc2c(NCC3CC3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.

What is the InChIKey of 1-N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-[2-methyl-6-(methylamino)phenyl]-2,6-naphthyridine-1,7-diamine?

The InChIKey is SVQFPIFKGYZENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29Cl2N5O2/c1-15-6-5-7-19(31-2)27(15)35-23-11-18-17(14-32-23)10-20(34-28(18)33-13-16-8-9-16)24-25(29)21(36-3)12-22(37-4)26(24)30/h5-7,10-12,14,16,31H,8-9,13H2,1-4H3,(H,32,35)(H,33,34).

What are the key properties of 1-N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-[2-methyl-6-(methylamino)phenyl]-2,6-naphthyridine-1,7-diamine?

1-N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-[2-methyl-6-(methylamino)phenyl]-2,6-naphthyridine-1,7-diamine has a molecular weight of 538.48 g/mol, XLogP of 7.54, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-[2-methyl-6-(methylamino)phenyl]-2,6-naphthyridine-1,7-diamine is sourced from PubChem (CID 142380892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).