N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide

C25H34N4O — CID 98133681

IUPACN-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide
SMILESCC(C)c1ncc(-c2ccncc2)c(C2CCC(CNC(=O)C3CCCC3)CC2)n1
InChIInChI=1S/C25H34N4O/c1-17(2)24-27-16-22(19-11-13-26-14-12-19)23(29-24)20-9-7-18(8-10-20)15-28-25(30)21-5-3-4-6-21/h11-14,16-18,20-21H,3-10,15H2,1-2H3,(H,28,30)
InChIKeyQKLRLFDAZOISQQ-UHFFFAOYSA-N
MW406.57 g/mol
LogP5.24
Rot. Bonds6

About N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide

N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide (PubChem CID 98133681) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide
PubChem CID98133681
Molecular FormulaC25H34N4O
Molecular Weight406.57 g/mol
Exact Mass406.27
IUPAC NameN-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide
SMILESCC(C)c1ncc(-c2ccncc2)c(C2CCC(CNC(=O)C3CCCC3)CC2)n1
InChIInChI=1S/C25H34N4O/c1-17(2)24-27-16-22(19-11-13-26-14-12-19)23(29-24)20-9-7-18(8-10-20)15-28-25(30)21-5-3-4-6-21/h11-14,16-18,20-21H,3-10,15H2,1-2H3,(H,28,30)
InChIKeyQKLRLFDAZOISQQ-UHFFFAOYSA-N
XLogP5.24
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide (CID 98133681) is N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide is CC(C)c1ncc(-c2ccncc2)c(C2CCC(CNC(=O)C3CCCC3)CC2)n1.
What is the InChIKey of N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide?
The InChIKey is QKLRLFDAZOISQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O/c1-17(2)24-27-16-22(19-11-13-26-14-12-19)23(29-24)20-9-7-18(8-10-20)15-28-25(30)21-5-3-4-6-21/h11-14,16-18,20-21H,3-10,15H2,1-2H3,(H,28,30).
What are the key properties of N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide?
N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide has a molecular weight of 406.57 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 98133681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).