N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]oxolane-2-carboxamide

C23H31N5O2 — CID 110217350

IUPACN-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]oxolane-2-carboxamide
SMILESCN(C)c1ncc(-c2ccccn2)c(C2CCC(CNC(=O)C3CCCO3)CC2)n1
InChIInChI=1S/C23H31N5O2/c1-28(2)23-26-15-18(19-6-3-4-12-24-19)21(27-23)17-10-8-16(9-11-17)14-25-22(29)20-7-5-13-30-20/h3-4,6,12,15-17,20H,5,7-11,13-14H2,1-2H3,(H,25,29)
InChIKeyORBRGKIALRZMFL-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.17
Rot. Bonds6

About N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]oxolane-2-carboxamide

N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]oxolane-2-carboxamide (PubChem CID 110217350) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]oxolane-2-carboxamide
PubChem CID110217350
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC NameN-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]oxolane-2-carboxamide
SMILESCN(C)c1ncc(-c2ccccn2)c(C2CCC(CNC(=O)C3CCCO3)CC2)n1
InChIInChI=1S/C23H31N5O2/c1-28(2)23-26-15-18(19-6-3-4-12-24-19)21(27-23)17-10-8-16(9-11-17)14-25-22(29)20-7-5-13-30-20/h3-4,6,12,15-17,20H,5,7-11,13-14H2,1-2H3,(H,25,29)
InChIKeyORBRGKIALRZMFL-UHFFFAOYSA-N
XLogP3.17
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]oxolane-2-carboxamide (CID 110217350) is N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]oxolane-2-carboxamide is CN(C)c1ncc(-c2ccccn2)c(C2CCC(CNC(=O)C3CCCO3)CC2)n1.
What is the InChIKey of N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]oxolane-2-carboxamide?
The InChIKey is ORBRGKIALRZMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-28(2)23-26-15-18(19-6-3-4-12-24-19)21(27-23)17-10-8-16(9-11-17)14-25-22(29)20-7-5-13-30-20/h3-4,6,12,15-17,20H,5,7-11,13-14H2,1-2H3,(H,25,29).
What are the key properties of N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]oxolane-2-carboxamide?
N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]oxolane-2-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(dimethylamino)-5-pyridin-2-ylpyrimidin-4-yl]cyclohexyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 110217350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).