N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-2-carboxamide

C30H33N3O3 — CID 3206109

About N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-2-carboxamide

N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-2-carboxamide (PubChem CID 3206109) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-2-carboxamide
• PubChem CID: 3206109
• Molecular Formula: C30H33N3O3
• Molecular Weight: 483.61 g/mol
• Exact Mass: 483.25
• IUPAC Name: N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-2-carboxamide
• SMILES: COc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc3c(c2)CCC3)cc1
• InChI: InChI=1S/C30H33N3O3/c1-36-26-17-14-22(15-18-26)28(29(34)32-24-10-3-2-4-11-24)33(30(35)27-12-5-6-19-31-27)25-16-13-21-8-7-9-23(21)20-25/h5-6,12-20,24,28H,2-4,7-11H2,1H3,(H,32,34)
• InChIKey: ZTAKKIIXXJJIIJ-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.61
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-2-carboxamide?

The IUPAC name of N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-2-carboxamide (CID 3206109) is N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-2-carboxamide.

What is the SMILES notation for N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-2-carboxamide?

The canonical SMILES for N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-2-carboxamide is COc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc3c(c2)CCC3)cc1.

What is the InChIKey of N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-2-carboxamide?

The InChIKey is ZTAKKIIXXJJIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3/c1-36-26-17-14-22(15-18-26)28(29(34)32-24-10-3-2-4-11-24)33(30(35)27-12-5-6-19-31-27)25-16-13-21-8-7-9-23(21)20-25/h5-6,12-20,24,28H,2-4,7-11H2,1H3,(H,32,34).

What are the key properties of N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-2-carboxamide?

N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-2-carboxamide has a molecular weight of 483.61 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 3206109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).