4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide

C24H42N6O2 — CID 140516048

IUPAC4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
SMILESCOC1CCC(C2CNC(NC3CCC(C(=O)Nc4c(C)nn(C)c4C)CC3)NC2)CC1
InChIInChI=1S/C24H42N6O2/c1-15-22(16(2)30(3)29-15)28-23(31)18-5-9-20(10-6-18)27-24-25-13-19(14-26-24)17-7-11-21(32-4)12-8-17/h17-21,24-27H,5-14H2,1-4H3,(H,28,31)
InChIKeyYTBSXGXIOJCQFI-UHFFFAOYSA-N
MW446.64 g/mol
LogP2.42
Rot. Bonds6

About 4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide

4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide (PubChem CID 140516048) has the molecular formula C24H42N6O2 and a molecular weight of 446.64 g/mol. Its IUPAC name is 4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
PubChem CID140516048
Molecular FormulaC24H42N6O2
Molecular Weight446.64 g/mol
Exact Mass446.34
IUPAC Name4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
SMILESCOC1CCC(C2CNC(NC3CCC(C(=O)Nc4c(C)nn(C)c4C)CC3)NC2)CC1
InChIInChI=1S/C24H42N6O2/c1-15-22(16(2)30(3)29-15)28-23(31)18-5-9-20(10-6-18)27-24-25-13-19(14-26-24)17-7-11-21(32-4)12-8-17/h17-21,24-27H,5-14H2,1-4H3,(H,28,31)
InChIKeyYTBSXGXIOJCQFI-UHFFFAOYSA-N
XLogP2.42
TPSA92.24 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.64
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide (CID 140516048) is 4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide is COC1CCC(C2CNC(NC3CCC(C(=O)Nc4c(C)nn(C)c4C)CC3)NC2)CC1.
What is the InChIKey of 4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide?
The InChIKey is YTBSXGXIOJCQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N6O2/c1-15-22(16(2)30(3)29-15)28-23(31)18-5-9-20(10-6-18)27-24-25-13-19(14-26-24)17-7-11-21(32-4)12-8-17/h17-21,24-27H,5-14H2,1-4H3,(H,28,31).
What are the key properties of 4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide?
4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide has a molecular weight of 446.64 g/mol, XLogP of 2.42, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 140516048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).