N-cyclohexyl-5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]pyridine-2-carboxamide

C24H28F3N3O3 — CID 162654821

IUPACN-cyclohexyl-5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]pyridine-2-carboxamide
SMILESCc1ccc([C@@H](Oc2ccc(C(=O)NC3CCCCC3)nc2)[C@H](C)NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C24H28F3N3O3/c1-15-8-10-17(11-9-15)21(16(2)29-23(32)24(25,26)27)33-19-12-13-20(28-14-19)22(31)30-18-6-4-3-5-7-18/h8-14,16,18,21H,3-7H2,1-2H3,(H,29,32)(H,30,31)/t16-,21-/m0/s1
InChIKeyLZNNVIVDLGFSQD-KKSFZXQISA-N
MW463.50 g/mol
LogP4.64
Rot. Bonds7

About N-cyclohexyl-5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]pyridine-2-carboxamide

N-cyclohexyl-5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]pyridine-2-carboxamide (PubChem CID 162654821) has the molecular formula C24H28F3N3O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is N-cyclohexyl-5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]pyridine-2-carboxamide
PubChem CID162654821
Molecular FormulaC24H28F3N3O3
Molecular Weight463.50 g/mol
Exact Mass463.21
IUPAC NameN-cyclohexyl-5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]pyridine-2-carboxamide
SMILESCc1ccc([C@@H](Oc2ccc(C(=O)NC3CCCCC3)nc2)[C@H](C)NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C24H28F3N3O3/c1-15-8-10-17(11-9-15)21(16(2)29-23(32)24(25,26)27)33-19-12-13-20(28-14-19)22(31)30-18-6-4-3-5-7-18/h8-14,16,18,21H,3-7H2,1-2H3,(H,29,32)(H,30,31)/t16-,21-/m0/s1
InChIKeyLZNNVIVDLGFSQD-KKSFZXQISA-N
XLogP4.64
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]pyridine-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]pyridine-2-carboxamide (CID 162654821) is N-cyclohexyl-5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]pyridine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]pyridine-2-carboxamide is Cc1ccc([C@@H](Oc2ccc(C(=O)NC3CCCCC3)nc2)[C@H](C)NC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-cyclohexyl-5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]pyridine-2-carboxamide?
The InChIKey is LZNNVIVDLGFSQD-KKSFZXQISA-N. The full InChI is InChI=1S/C24H28F3N3O3/c1-15-8-10-17(11-9-15)21(16(2)29-23(32)24(25,26)27)33-19-12-13-20(28-14-19)22(31)30-18-6-4-3-5-7-18/h8-14,16,18,21H,3-7H2,1-2H3,(H,29,32)(H,30,31)/t16-,21-/m0/s1.
What are the key properties of N-cyclohexyl-5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]pyridine-2-carboxamide?
N-cyclohexyl-5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]pyridine-2-carboxamide has a molecular weight of 463.50 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]pyridine-2-carboxamide is sourced from PubChem (CID 162654821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).