2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide

C37H41N7O6 — CID 135344339

About 2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide

2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide (PubChem CID 135344339) has the molecular formula C37H41N7O6 and a molecular weight of 679.78 g/mol. Its IUPAC name is 2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide.

Molecular Properties

• Compound Name: 2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide
• PubChem CID: 135344339
• Molecular Formula: C37H41N7O6
• Molecular Weight: 679.78 g/mol
• Exact Mass: 679.31
• IUPAC Name: 2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide
• SMILES: CCc1ccncc1-c1cc2cc(NC(=O)NC(C)C(N)=O)ncc2c(N(Cc2ccc(OC)cc2OC)Cc2ccc(OC)cc2OC)n1
• InChI: InChI=1S/C37H41N7O6/c1-7-23-12-13-39-18-29(23)31-14-26-15-34(43-37(46)41-22(2)35(38)45)40-19-30(26)36(42-31)44(20-24-8-10-27(47-3)16-32(24)49-5)21-25-9-11-28(48-4)17-33(25)50-6/h8-19,22H,7,20-21H2,1-6H3,(H2,38,45)(H2,40,41,43,46)
• InChIKey: RXBZRGBZMLNKEN-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 163.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.78
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide?

The IUPAC name of 2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide (CID 135344339) is 2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide.

What is the SMILES notation for 2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide?

The canonical SMILES for 2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide is CCc1ccncc1-c1cc2cc(NC(=O)NC(C)C(N)=O)ncc2c(N(Cc2ccc(OC)cc2OC)Cc2ccc(OC)cc2OC)n1.

What is the InChIKey of 2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide?

The InChIKey is RXBZRGBZMLNKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N7O6/c1-7-23-12-13-39-18-29(23)31-14-26-15-34(43-37(46)41-22(2)35(38)45)40-19-30(26)36(42-31)44(20-24-8-10-27(47-3)16-32(24)49-5)21-25-9-11-28(48-4)17-33(25)50-6/h8-19,22H,7,20-21H2,1-6H3,(H2,38,45)(H2,40,41,43,46).

What are the key properties of 2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide?

2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide has a molecular weight of 679.78 g/mol, XLogP of 5.49, 14 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide is sourced from PubChem (CID 135344339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).