2-(4-cyanophenyl)-N-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetamide

C19H15N5O — CID 137429648

IUPAC2-(4-cyanophenyl)-N-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetamide
SMILESCc1cnc(-c2ccccn2)nc1NC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C19H15N5O/c1-13-12-22-19(16-4-2-3-9-21-16)24-18(13)23-17(25)10-14-5-7-15(11-20)8-6-14/h2-9,12H,10H2,1H3,(H,22,23,24,25)
InChIKeyJHTHCFVNOWAUQK-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.90
Rot. Bonds4

About 2-(4-cyanophenyl)-N-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetamide

2-(4-cyanophenyl)-N-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetamide (PubChem CID 137429648) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetamide
PubChem CID137429648
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name2-(4-cyanophenyl)-N-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetamide
SMILESCc1cnc(-c2ccccn2)nc1NC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C19H15N5O/c1-13-12-22-19(16-4-2-3-9-21-16)24-18(13)23-17(25)10-14-5-7-15(11-20)8-6-14/h2-9,12H,10H2,1H3,(H,22,23,24,25)
InChIKeyJHTHCFVNOWAUQK-UHFFFAOYSA-N
XLogP2.90
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetamide (CID 137429648) is 2-(4-cyanophenyl)-N-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetamide is Cc1cnc(-c2ccccn2)nc1NC(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetamide?
The InChIKey is JHTHCFVNOWAUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-13-12-22-19(16-4-2-3-9-21-16)24-18(13)23-17(25)10-14-5-7-15(11-20)8-6-14/h2-9,12H,10H2,1H3,(H,22,23,24,25).
What are the key properties of 2-(4-cyanophenyl)-N-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetamide?
2-(4-cyanophenyl)-N-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 137429648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).