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

C23H26N6O3 — CID 86267846

IUPACN-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclohexanecarboxamide
SMILESCc1nc(NC(=O)NC(=O)C2CCCCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C23H26N6O3/c1-15-20(32-18-10-11-24-19(12-18)17-13-25-29(2)14-17)8-9-21(26-15)27-23(31)28-22(30)16-6-4-3-5-7-16/h8-14,16H,3-7H2,1-2H3,(H2,26,27,28,30,31)
InChIKeyNCPIMEOPSFOWKB-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.21
Rot. Bonds5

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

N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclohexanecarboxamide (PubChem CID 86267846) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclohexanecarboxamide
PubChem CID86267846
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC NameN-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclohexanecarboxamide
SMILESCc1nc(NC(=O)NC(=O)C2CCCCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C23H26N6O3/c1-15-20(32-18-10-11-24-19(12-18)17-13-25-29(2)14-17)8-9-21(26-15)27-23(31)28-22(30)16-6-4-3-5-7-16/h8-14,16H,3-7H2,1-2H3,(H2,26,27,28,30,31)
InChIKeyNCPIMEOPSFOWKB-UHFFFAOYSA-N
XLogP4.21
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclohexanecarboxamide?
The IUPAC name of N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclohexanecarboxamide (CID 86267846) is N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclohexanecarboxamide is Cc1nc(NC(=O)NC(=O)C2CCCCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1.
What is the InChIKey of N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclohexanecarboxamide?
The InChIKey is NCPIMEOPSFOWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-15-20(32-18-10-11-24-19(12-18)17-13-25-29(2)14-17)8-9-21(26-15)27-23(31)28-22(30)16-6-4-3-5-7-16/h8-14,16H,3-7H2,1-2H3,(H2,26,27,28,30,31).
What are the key properties of N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclohexanecarboxamide?
N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclohexanecarboxamide has a molecular weight of 434.50 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclohexanecarboxamide is sourced from PubChem (CID 86267846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).