5-oxo-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyrrolidine-2-carboxamide

C24H31N5O2 — CID 110235419

IUPAC5-oxo-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1ncc(-c2ccncc2)c(C2CCC(CNC(=O)C3CCC(=O)N3)CC2)n1
InChIInChI=1S/C24H31N5O2/c1-15(2)23-26-14-19(17-9-11-25-12-10-17)22(29-23)18-5-3-16(4-6-18)13-27-24(31)20-7-8-21(30)28-20/h9-12,14-16,18,20H,3-8,13H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyWIIVIRPPBFDMKO-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.33
Rot. Bonds6

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

5-oxo-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 110235419) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 5-oxo-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
PubChem CID110235419
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name5-oxo-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1ncc(-c2ccncc2)c(C2CCC(CNC(=O)C3CCC(=O)N3)CC2)n1
InChIInChI=1S/C24H31N5O2/c1-15(2)23-26-14-19(17-9-11-25-12-10-17)22(29-23)18-5-3-16(4-6-18)13-27-24(31)20-7-8-21(30)28-20/h9-12,14-16,18,20H,3-8,13H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyWIIVIRPPBFDMKO-UHFFFAOYSA-N
XLogP3.33
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyrrolidine-2-carboxamide (CID 110235419) is 5-oxo-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyrrolidine-2-carboxamide is CC(C)c1ncc(-c2ccncc2)c(C2CCC(CNC(=O)C3CCC(=O)N3)CC2)n1.
What is the InChIKey of 5-oxo-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is WIIVIRPPBFDMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-15(2)23-26-14-19(17-9-11-25-12-10-17)22(29-23)18-5-3-16(4-6-18)13-27-24(31)20-7-8-21(30)28-20/h9-12,14-16,18,20H,3-8,13H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 5-oxo-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyrrolidine-2-carboxamide?
5-oxo-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[[4-(2-propan-2-yl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110235419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).