N-(2-cyanopropan-2-yl)-3-methyl-5-(4-propan-2-ylpyrimidin-5-yl)benzamide

C19H22N4O — CID 138636753

IUPACN-(2-cyanopropan-2-yl)-3-methyl-5-(4-propan-2-ylpyrimidin-5-yl)benzamide
SMILESCc1cc(C(=O)NC(C)(C)C#N)cc(-c2cncnc2C(C)C)c1
InChIInChI=1S/C19H22N4O/c1-12(2)17-16(9-21-11-22-17)14-6-13(3)7-15(8-14)18(24)23-19(4,5)10-20/h6-9,11-12H,1-5H3,(H,23,24)
InChIKeyYJMIWUWWQIBNSB-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.61
Rot. Bonds4

About N-(2-cyanopropan-2-yl)-3-methyl-5-(4-propan-2-ylpyrimidin-5-yl)benzamide

N-(2-cyanopropan-2-yl)-3-methyl-5-(4-propan-2-ylpyrimidin-5-yl)benzamide (PubChem CID 138636753) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-3-methyl-5-(4-propan-2-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-3-methyl-5-(4-propan-2-ylpyrimidin-5-yl)benzamide
PubChem CID138636753
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-(2-cyanopropan-2-yl)-3-methyl-5-(4-propan-2-ylpyrimidin-5-yl)benzamide
SMILESCc1cc(C(=O)NC(C)(C)C#N)cc(-c2cncnc2C(C)C)c1
InChIInChI=1S/C19H22N4O/c1-12(2)17-16(9-21-11-22-17)14-6-13(3)7-15(8-14)18(24)23-19(4,5)10-20/h6-9,11-12H,1-5H3,(H,23,24)
InChIKeyYJMIWUWWQIBNSB-UHFFFAOYSA-N
XLogP3.61
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-3-methyl-5-(4-propan-2-ylpyrimidin-5-yl)benzamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-3-methyl-5-(4-propan-2-ylpyrimidin-5-yl)benzamide (CID 138636753) is N-(2-cyanopropan-2-yl)-3-methyl-5-(4-propan-2-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-3-methyl-5-(4-propan-2-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-3-methyl-5-(4-propan-2-ylpyrimidin-5-yl)benzamide is Cc1cc(C(=O)NC(C)(C)C#N)cc(-c2cncnc2C(C)C)c1.
What is the InChIKey of N-(2-cyanopropan-2-yl)-3-methyl-5-(4-propan-2-ylpyrimidin-5-yl)benzamide?
The InChIKey is YJMIWUWWQIBNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-12(2)17-16(9-21-11-22-17)14-6-13(3)7-15(8-14)18(24)23-19(4,5)10-20/h6-9,11-12H,1-5H3,(H,23,24).
What are the key properties of N-(2-cyanopropan-2-yl)-3-methyl-5-(4-propan-2-ylpyrimidin-5-yl)benzamide?
N-(2-cyanopropan-2-yl)-3-methyl-5-(4-propan-2-ylpyrimidin-5-yl)benzamide has a molecular weight of 322.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-3-methyl-5-(4-propan-2-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 138636753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).