N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)-5-methylpyridine-2-carboxamide

C26H29FN4O — CID 123514253

About N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)-5-methylpyridine-2-carboxamide

N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)-5-methylpyridine-2-carboxamide (PubChem CID 123514253) has the molecular formula C26H29FN4O and a molecular weight of 432.54 g/mol. Its IUPAC name is N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)-5-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)-5-methylpyridine-2-carboxamide
• PubChem CID: 123514253
• Molecular Formula: C26H29FN4O
• Molecular Weight: 432.54 g/mol
• Exact Mass: 432.23
• IUPAC Name: N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)-5-methylpyridine-2-carboxamide
• SMILES: Cc1ccc(C(=O)Nc2cnccc2C2CC(C)CC(N)C2)nc1-c1c(C)cccc1F
• InChI: InChI=1S/C26H29FN4O/c1-15-11-18(13-19(28)12-15)20-9-10-29-14-23(20)31-26(32)22-8-7-17(3)25(30-22)24-16(2)5-4-6-21(24)27/h4-10,14-15,18-19H,11-13,28H2,1-3H3,(H,31,32)
• InChIKey: JFNOHOSFTCFRFX-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 80.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.54
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)-5-methylpyridine-2-carboxamide?

The IUPAC name of N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)-5-methylpyridine-2-carboxamide (CID 123514253) is N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)-5-methylpyridine-2-carboxamide.

What is the SMILES notation for N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)-5-methylpyridine-2-carboxamide?

The canonical SMILES for N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)-5-methylpyridine-2-carboxamide is Cc1ccc(C(=O)Nc2cnccc2C2CC(C)CC(N)C2)nc1-c1c(C)cccc1F.

What is the InChIKey of N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)-5-methylpyridine-2-carboxamide?

The InChIKey is JFNOHOSFTCFRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O/c1-15-11-18(13-19(28)12-15)20-9-10-29-14-23(20)31-26(32)22-8-7-17(3)25(30-22)24-16(2)5-4-6-21(24)27/h4-10,14-15,18-19H,11-13,28H2,1-3H3,(H,31,32).

What are the key properties of N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)-5-methylpyridine-2-carboxamide?

N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)-5-methylpyridine-2-carboxamide has a molecular weight of 432.54 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 123514253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).