pyridin-3-ylmethyl N-[3-[(E)-2-[6-methyl-5-[(2-thiophen-2-ylacetyl)amino]-1H-indol-3-yl]ethenyl]phenyl]carbamate

C30H26N4O3S — CID 143464033

About pyridin-3-ylmethyl N-[3-[(E)-2-[6-methyl-5-[(2-thiophen-2-ylacetyl)amino]-1H-indol-3-yl]ethenyl]phenyl]carbamate

pyridin-3-ylmethyl N-[3-[(E)-2-[6-methyl-5-[(2-thiophen-2-ylacetyl)amino]-1H-indol-3-yl]ethenyl]phenyl]carbamate (PubChem CID 143464033) has the molecular formula C30H26N4O3S and a molecular weight of 522.63 g/mol. Its IUPAC name is pyridin-3-ylmethyl N-[3-[(E)-2-[6-methyl-5-[(2-thiophen-2-ylacetyl)amino]-1H-indol-3-yl]ethenyl]phenyl]carbamate.

Molecular Properties

• Compound Name: pyridin-3-ylmethyl N-[3-[(E)-2-[6-methyl-5-[(2-thiophen-2-ylacetyl)amino]-1H-indol-3-yl]ethenyl]phenyl]carbamate
• PubChem CID: 143464033
• Molecular Formula: C30H26N4O3S
• Molecular Weight: 522.63 g/mol
• Exact Mass: 522.17
• IUPAC Name: pyridin-3-ylmethyl N-[3-[(E)-2-[6-methyl-5-[(2-thiophen-2-ylacetyl)amino]-1H-indol-3-yl]ethenyl]phenyl]carbamate
• SMILES: Cc1cc2[nH]cc(/C=C/c3cccc(NC(=O)OCc4cccnc4)c3)c2cc1NC(=O)Cc1cccs1
• InChI: InChI=1S/C30H26N4O3S/c1-20-13-28-26(16-27(20)34-29(35)15-25-8-4-12-38-25)23(18-32-28)10-9-21-5-2-7-24(14-21)33-30(36)37-19-22-6-3-11-31-17-22/h2-14,16-18,32H,15,19H2,1H3,(H,33,36)(H,34,35)/b10-9+
• InChIKey: GDACYMKOCYUEKO-MDZDMXLPSA-N
• XLogP: 7.03
• TPSA: 96.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.63
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl N-[3-[(E)-2-[6-methyl-5-[(2-thiophen-2-ylacetyl)amino]-1H-indol-3-yl]ethenyl]phenyl]carbamate?

The IUPAC name of pyridin-3-ylmethyl N-[3-[(E)-2-[6-methyl-5-[(2-thiophen-2-ylacetyl)amino]-1H-indol-3-yl]ethenyl]phenyl]carbamate (CID 143464033) is pyridin-3-ylmethyl N-[3-[(E)-2-[6-methyl-5-[(2-thiophen-2-ylacetyl)amino]-1H-indol-3-yl]ethenyl]phenyl]carbamate.

What is the SMILES notation for pyridin-3-ylmethyl N-[3-[(E)-2-[6-methyl-5-[(2-thiophen-2-ylacetyl)amino]-1H-indol-3-yl]ethenyl]phenyl]carbamate?

The canonical SMILES for pyridin-3-ylmethyl N-[3-[(E)-2-[6-methyl-5-[(2-thiophen-2-ylacetyl)amino]-1H-indol-3-yl]ethenyl]phenyl]carbamate is Cc1cc2[nH]cc(/C=C/c3cccc(NC(=O)OCc4cccnc4)c3)c2cc1NC(=O)Cc1cccs1.

What is the InChIKey of pyridin-3-ylmethyl N-[3-[(E)-2-[6-methyl-5-[(2-thiophen-2-ylacetyl)amino]-1H-indol-3-yl]ethenyl]phenyl]carbamate?

The InChIKey is GDACYMKOCYUEKO-MDZDMXLPSA-N. The full InChI is InChI=1S/C30H26N4O3S/c1-20-13-28-26(16-27(20)34-29(35)15-25-8-4-12-38-25)23(18-32-28)10-9-21-5-2-7-24(14-21)33-30(36)37-19-22-6-3-11-31-17-22/h2-14,16-18,32H,15,19H2,1H3,(H,33,36)(H,34,35)/b10-9+.

What are the key properties of pyridin-3-ylmethyl N-[3-[(E)-2-[6-methyl-5-[(2-thiophen-2-ylacetyl)amino]-1H-indol-3-yl]ethenyl]phenyl]carbamate?

pyridin-3-ylmethyl N-[3-[(E)-2-[6-methyl-5-[(2-thiophen-2-ylacetyl)amino]-1H-indol-3-yl]ethenyl]phenyl]carbamate has a molecular weight of 522.63 g/mol, XLogP of 7.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for pyridin-3-ylmethyl N-[3-[(E)-2-[6-methyl-5-[(2-thiophen-2-ylacetyl)amino]-1H-indol-3-yl]ethenyl]phenyl]carbamate is sourced from PubChem (CID 143464033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).