2-cyclohexyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide

C24H28N6O3 — CID 86268669

IUPAC2-cyclohexyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide
SMILESCc1nc(NC(=O)NC(=O)CC2CCCCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C24H28N6O3/c1-16-21(33-19-10-11-25-20(13-19)18-14-26-30(2)15-18)8-9-22(27-16)28-24(32)29-23(31)12-17-6-4-3-5-7-17/h8-11,13-15,17H,3-7,12H2,1-2H3,(H2,27,28,29,31,32)
InChIKeyXPBJIFLFRWUBPO-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.60
Rot. Bonds6

About 2-cyclohexyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide

2-cyclohexyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide (PubChem CID 86268669) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 2-cyclohexyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide
PubChem CID86268669
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name2-cyclohexyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide
SMILESCc1nc(NC(=O)NC(=O)CC2CCCCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C24H28N6O3/c1-16-21(33-19-10-11-25-20(13-19)18-14-26-30(2)15-18)8-9-22(27-16)28-24(32)29-23(31)12-17-6-4-3-5-7-17/h8-11,13-15,17H,3-7,12H2,1-2H3,(H2,27,28,29,31,32)
InChIKeyXPBJIFLFRWUBPO-UHFFFAOYSA-N
XLogP4.60
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide (CID 86268669) is 2-cyclohexyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide is Cc1nc(NC(=O)NC(=O)CC2CCCCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1.
What is the InChIKey of 2-cyclohexyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide?
The InChIKey is XPBJIFLFRWUBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-16-21(33-19-10-11-25-20(13-19)18-14-26-30(2)15-18)8-9-22(27-16)28-24(32)29-23(31)12-17-6-4-3-5-7-17/h8-11,13-15,17H,3-7,12H2,1-2H3,(H2,27,28,29,31,32).
What are the key properties of 2-cyclohexyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide?
2-cyclohexyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide has a molecular weight of 448.53 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide is sourced from PubChem (CID 86268669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).