N-[5-[4-(4-cyanophenyl)-4-fluoropiperidin-1-yl]-2,4-dimethylphenyl]-6-[2-methoxyethyl(methyl)amino]pyridine-3-carboxamide

C30H34FN5O2 — CID 130216613

About N-[5-[4-(4-cyanophenyl)-4-fluoropiperidin-1-yl]-2,4-dimethylphenyl]-6-[2-methoxyethyl(methyl)amino]pyridine-3-carboxamide

N-[5-[4-(4-cyanophenyl)-4-fluoropiperidin-1-yl]-2,4-dimethylphenyl]-6-[2-methoxyethyl(methyl)amino]pyridine-3-carboxamide (PubChem CID 130216613) has the molecular formula C30H34FN5O2 and a molecular weight of 515.63 g/mol. Its IUPAC name is N-[5-[4-(4-cyanophenyl)-4-fluoropiperidin-1-yl]-2,4-dimethylphenyl]-6-[2-methoxyethyl(methyl)amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[4-(4-cyanophenyl)-4-fluoropiperidin-1-yl]-2,4-dimethylphenyl]-6-[2-methoxyethyl(methyl)amino]pyridine-3-carboxamide
• PubChem CID: 130216613
• Molecular Formula: C30H34FN5O2
• Molecular Weight: 515.63 g/mol
• Exact Mass: 515.27
• IUPAC Name: N-[5-[4-(4-cyanophenyl)-4-fluoropiperidin-1-yl]-2,4-dimethylphenyl]-6-[2-methoxyethyl(methyl)amino]pyridine-3-carboxamide
• SMILES: COCCN(C)c1ccc(C(=O)Nc2cc(N3CCC(F)(c4ccc(C#N)cc4)CC3)c(C)cc2C)cn1
• InChI: InChI=1S/C30H34FN5O2/c1-21-17-22(2)27(36-13-11-30(31,12-14-36)25-8-5-23(19-32)6-9-25)18-26(21)34-29(37)24-7-10-28(33-20-24)35(3)15-16-38-4/h5-10,17-18,20H,11-16H2,1-4H3,(H,34,37)
• InChIKey: JCINUUVYCNGFNW-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 81.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.63
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-cyanophenyl)-4-fluoropiperidin-1-yl]-2,4-dimethylphenyl]-6-[2-methoxyethyl(methyl)amino]pyridine-3-carboxamide?

The IUPAC name of N-[5-[4-(4-cyanophenyl)-4-fluoropiperidin-1-yl]-2,4-dimethylphenyl]-6-[2-methoxyethyl(methyl)amino]pyridine-3-carboxamide (CID 130216613) is N-[5-[4-(4-cyanophenyl)-4-fluoropiperidin-1-yl]-2,4-dimethylphenyl]-6-[2-methoxyethyl(methyl)amino]pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[4-(4-cyanophenyl)-4-fluoropiperidin-1-yl]-2,4-dimethylphenyl]-6-[2-methoxyethyl(methyl)amino]pyridine-3-carboxamide?

The canonical SMILES for N-[5-[4-(4-cyanophenyl)-4-fluoropiperidin-1-yl]-2,4-dimethylphenyl]-6-[2-methoxyethyl(methyl)amino]pyridine-3-carboxamide is COCCN(C)c1ccc(C(=O)Nc2cc(N3CCC(F)(c4ccc(C#N)cc4)CC3)c(C)cc2C)cn1.

What is the InChIKey of N-[5-[4-(4-cyanophenyl)-4-fluoropiperidin-1-yl]-2,4-dimethylphenyl]-6-[2-methoxyethyl(methyl)amino]pyridine-3-carboxamide?

The InChIKey is JCINUUVYCNGFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN5O2/c1-21-17-22(2)27(36-13-11-30(31,12-14-36)25-8-5-23(19-32)6-9-25)18-26(21)34-29(37)24-7-10-28(33-20-24)35(3)15-16-38-4/h5-10,17-18,20H,11-16H2,1-4H3,(H,34,37).

What are the key properties of N-[5-[4-(4-cyanophenyl)-4-fluoropiperidin-1-yl]-2,4-dimethylphenyl]-6-[2-methoxyethyl(methyl)amino]pyridine-3-carboxamide?

N-[5-[4-(4-cyanophenyl)-4-fluoropiperidin-1-yl]-2,4-dimethylphenyl]-6-[2-methoxyethyl(methyl)amino]pyridine-3-carboxamide has a molecular weight of 515.63 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-(4-cyanophenyl)-4-fluoropiperidin-1-yl]-2,4-dimethylphenyl]-6-[2-methoxyethyl(methyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 130216613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).