carbon dioxide;N-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-6-(2-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine

C29H32F3N5O3 — CID 159404048

About carbon dioxide;N-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-6-(2-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine

carbon dioxide;N-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-6-(2-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 159404048) has the molecular formula C29H32F3N5O3 and a molecular weight of 555.60 g/mol. Its IUPAC name is carbon dioxide;N-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-6-(2-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: carbon dioxide;N-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-6-(2-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 159404048
• Molecular Formula: C29H32F3N5O3
• Molecular Weight: 555.60 g/mol
• Exact Mass: 555.25
• IUPAC Name: carbon dioxide;N-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-6-(2-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine
• SMILES: CC1CCN(c2cccc(CNc3ccc(C(F)(F)F)c(-c4ccccc4N4CCOCC4)n3)n2)CC1.O=C=O
• InChI: InChI=1S/C28H32F3N5O.CO2/c1-20-11-13-36(14-12-20)26-8-4-5-21(33-26)19-32-25-10-9-23(28(29,30)31)27(34-25)22-6-2-3-7-24(22)35-15-17-37-18-16-35;2-1-3/h2-10,20H,11-19H2,1H3,(H,32,34)
• InChIKey: LNSKUPYBAKRDDD-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 87.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.60
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-6-(2-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of carbon dioxide;N-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-6-(2-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine (CID 159404048) is carbon dioxide;N-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-6-(2-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for carbon dioxide;N-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-6-(2-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for carbon dioxide;N-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-6-(2-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine is CC1CCN(c2cccc(CNc3ccc(C(F)(F)F)c(-c4ccccc4N4CCOCC4)n3)n2)CC1.O=C=O.

What is the InChIKey of carbon dioxide;N-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-6-(2-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine?

The InChIKey is LNSKUPYBAKRDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N5O.CO2/c1-20-11-13-36(14-12-20)26-8-4-5-21(33-26)19-32-25-10-9-23(28(29,30)31)27(34-25)22-6-2-3-7-24(22)35-15-17-37-18-16-35;2-1-3/h2-10,20H,11-19H2,1H3,(H,32,34);.

What are the key properties of carbon dioxide;N-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-6-(2-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine?

carbon dioxide;N-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-6-(2-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 555.60 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;N-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-6-(2-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 159404048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).