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

C22H29N5O — CID 98133623

IUPACN-[[4-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclopropanecarboxamide
SMILESCN(C)c1ncc(-c2ccncc2)c(C2CCC(CNC(=O)C3CC3)CC2)n1
InChIInChI=1S/C22H29N5O/c1-27(2)22-25-14-19(16-9-11-23-12-10-16)20(26-22)17-5-3-15(4-6-17)13-24-21(28)18-7-8-18/h9-12,14-15,17-18H,3-8,13H2,1-2H3,(H,24,28)
InChIKeyRMNBKOZWHSTKNE-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.40
Rot. Bonds6

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

N-[[4-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclopropanecarboxamide (PubChem CID 98133623) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclopropanecarboxamide
PubChem CID98133623
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN-[[4-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclopropanecarboxamide
SMILESCN(C)c1ncc(-c2ccncc2)c(C2CCC(CNC(=O)C3CC3)CC2)n1
InChIInChI=1S/C22H29N5O/c1-27(2)22-25-14-19(16-9-11-23-12-10-16)20(26-22)17-5-3-15(4-6-17)13-24-21(28)18-7-8-18/h9-12,14-15,17-18H,3-8,13H2,1-2H3,(H,24,28)
InChIKeyRMNBKOZWHSTKNE-UHFFFAOYSA-N
XLogP3.40
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[4-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclopropanecarboxamide (CID 98133623) is N-[[4-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclopropanecarboxamide is CN(C)c1ncc(-c2ccncc2)c(C2CCC(CNC(=O)C3CC3)CC2)n1.
What is the InChIKey of N-[[4-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclopropanecarboxamide?
The InChIKey is RMNBKOZWHSTKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-27(2)22-25-14-19(16-9-11-23-12-10-16)20(26-22)17-5-3-15(4-6-17)13-24-21(28)18-7-8-18/h9-12,14-15,17-18H,3-8,13H2,1-2H3,(H,24,28).
What are the key properties of N-[[4-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclopropanecarboxamide?
N-[[4-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclopropanecarboxamide has a molecular weight of 379.51 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 98133623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).