N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-(2,4-difluorophenyl)-9,10-dihydroanthracene-2-carboxamide;ethane;methanamine

C32H36F2N4O — CID 145206990

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-(2,4-difluorophenyl)-9,10-dihydroanthracene-2-carboxamide;ethane;methanamine

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-(2,4-difluorophenyl)-9,10-dihydroanthracene-2-carboxamide;ethane;methanamine (PubChem CID 145206990) has the molecular formula C32H36F2N4O and a molecular weight of 530.66 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-(2,4-difluorophenyl)-9,10-dihydroanthracene-2-carboxamide;ethane;methanamine.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-(2,4-difluorophenyl)-9,10-dihydroanthracene-2-carboxamide;ethane;methanamine
• PubChem CID: 145206990
• Molecular Formula: C32H36F2N4O
• Molecular Weight: 530.66 g/mol
• Exact Mass: 530.29
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-(2,4-difluorophenyl)-9,10-dihydroanthracene-2-carboxamide;ethane;methanamine
• SMILES: CC.CN.Cc1cc(N)nc(C)c1CNC(=O)c1ccc2c(c1)Cc1ccc(-c3ccc(F)cc3F)cc1C2
• InChI: InChI=1S/C29H25F2N3O.C2H6.CH5N/c1-16-9-28(32)34-17(2)26(16)15-33-29(35)21-6-4-19-10-22-12-20(5-3-18(22)11-23(19)13-21)25-8-7-24(30)14-27(25)31;2*1-2/h3-9,12-14H,10-11,15H2,1-2H3,(H2,32,34)(H,33,35);1-2H3;2H2,1H3
• InChIKey: CCLVZRIRTPNRKT-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 94.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.66
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-(2,4-difluorophenyl)-9,10-dihydroanthracene-2-carboxamide;ethane;methanamine?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-(2,4-difluorophenyl)-9,10-dihydroanthracene-2-carboxamide;ethane;methanamine (CID 145206990) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-(2,4-difluorophenyl)-9,10-dihydroanthracene-2-carboxamide;ethane;methanamine.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-(2,4-difluorophenyl)-9,10-dihydroanthracene-2-carboxamide;ethane;methanamine?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-(2,4-difluorophenyl)-9,10-dihydroanthracene-2-carboxamide;ethane;methanamine is CC.CN.Cc1cc(N)nc(C)c1CNC(=O)c1ccc2c(c1)Cc1ccc(-c3ccc(F)cc3F)cc1C2.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-(2,4-difluorophenyl)-9,10-dihydroanthracene-2-carboxamide;ethane;methanamine?

The InChIKey is CCLVZRIRTPNRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F2N3O.C2H6.CH5N/c1-16-9-28(32)34-17(2)26(16)15-33-29(35)21-6-4-19-10-22-12-20(5-3-18(22)11-23(19)13-21)25-8-7-24(30)14-27(25)31;2*1-2/h3-9,12-14H,10-11,15H2,1-2H3,(H2,32,34)(H,33,35);1-2H3;2H2,1H3.

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-(2,4-difluorophenyl)-9,10-dihydroanthracene-2-carboxamide;ethane;methanamine?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-(2,4-difluorophenyl)-9,10-dihydroanthracene-2-carboxamide;ethane;methanamine has a molecular weight of 530.66 g/mol, XLogP of 6.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-(2,4-difluorophenyl)-9,10-dihydroanthracene-2-carboxamide;ethane;methanamine is sourced from PubChem (CID 145206990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).