N-pyrazin-2-yl-3-[[(2R)-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide

C23H26F3N5O3 — CID 50917598

IUPACN-pyrazin-2-yl-3-[[(2R)-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
SMILESO=C(Nc1cnccn1)c1ncccc1OC[C@H]1CCCN1C(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C23H26F3N5O3/c24-23(25,26)16-7-5-15(6-8-16)22(33)31-12-2-3-17(31)14-34-18-4-1-9-29-20(18)21(32)30-19-13-27-10-11-28-19/h1,4,9-11,13,15-17H,2-3,5-8,12,14H2,(H,28,30,32)/t15?,16?,17-/m1/s1
InChIKeyVOBKCNJILNXXSI-OFLPRAFFSA-N
MW477.49 g/mol
LogP3.86
Rot. Bonds6

About N-pyrazin-2-yl-3-[[(2R)-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide

N-pyrazin-2-yl-3-[[(2R)-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide (PubChem CID 50917598) has the molecular formula C23H26F3N5O3 and a molecular weight of 477.49 g/mol. Its IUPAC name is N-pyrazin-2-yl-3-[[(2R)-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-pyrazin-2-yl-3-[[(2R)-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
PubChem CID50917598
Molecular FormulaC23H26F3N5O3
Molecular Weight477.49 g/mol
Exact Mass477.20
IUPAC NameN-pyrazin-2-yl-3-[[(2R)-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
SMILESO=C(Nc1cnccn1)c1ncccc1OC[C@H]1CCCN1C(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C23H26F3N5O3/c24-23(25,26)16-7-5-15(6-8-16)22(33)31-12-2-3-17(31)14-34-18-4-1-9-29-20(18)21(32)30-19-13-27-10-11-28-19/h1,4,9-11,13,15-17H,2-3,5-8,12,14H2,(H,28,30,32)/t15?,16?,17-/m1/s1
InChIKeyVOBKCNJILNXXSI-OFLPRAFFSA-N
XLogP3.86
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-pyrazin-2-yl-3-[[(2R)-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
The IUPAC name of N-pyrazin-2-yl-3-[[(2R)-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide (CID 50917598) is N-pyrazin-2-yl-3-[[(2R)-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-pyrazin-2-yl-3-[[(2R)-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
The canonical SMILES for N-pyrazin-2-yl-3-[[(2R)-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide is O=C(Nc1cnccn1)c1ncccc1OC[C@H]1CCCN1C(=O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-pyrazin-2-yl-3-[[(2R)-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
The InChIKey is VOBKCNJILNXXSI-OFLPRAFFSA-N. The full InChI is InChI=1S/C23H26F3N5O3/c24-23(25,26)16-7-5-15(6-8-16)22(33)31-12-2-3-17(31)14-34-18-4-1-9-29-20(18)21(32)30-19-13-27-10-11-28-19/h1,4,9-11,13,15-17H,2-3,5-8,12,14H2,(H,28,30,32)/t15?,16?,17-/m1/s1.
What are the key properties of N-pyrazin-2-yl-3-[[(2R)-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
N-pyrazin-2-yl-3-[[(2R)-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide has a molecular weight of 477.49 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazin-2-yl-3-[[(2R)-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide is sourced from PubChem (CID 50917598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).