N-methyl-N-[4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide

C18H17N5O — CID 14722185

IUPACN-methyl-N-[4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(Nc2nccc(-c3ccncc3)n2)cc1
InChIInChI=1S/C18H17N5O/c1-13(24)23(2)16-5-3-15(4-6-16)21-18-20-12-9-17(22-18)14-7-10-19-11-8-14/h3-12H,1-2H3,(H,20,21,22)
InChIKeyJIOWXQDPTXTUSV-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.26
Rot. Bonds4

About N-methyl-N-[4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide

N-methyl-N-[4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide (PubChem CID 14722185) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-methyl-N-[4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide
PubChem CID14722185
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-methyl-N-[4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(Nc2nccc(-c3ccncc3)n2)cc1
InChIInChI=1S/C18H17N5O/c1-13(24)23(2)16-5-3-15(4-6-16)21-18-20-12-9-17(22-18)14-7-10-19-11-8-14/h3-12H,1-2H3,(H,20,21,22)
InChIKeyJIOWXQDPTXTUSV-UHFFFAOYSA-N
XLogP3.26
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-methyl-N-[4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide (CID 14722185) is N-methyl-N-[4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-methyl-N-[4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide is CC(=O)N(C)c1ccc(Nc2nccc(-c3ccncc3)n2)cc1.
What is the InChIKey of N-methyl-N-[4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The InChIKey is JIOWXQDPTXTUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-13(24)23(2)16-5-3-15(4-6-16)21-18-20-12-9-17(22-18)14-7-10-19-11-8-14/h3-12H,1-2H3,(H,20,21,22).
What are the key properties of N-methyl-N-[4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide?
N-methyl-N-[4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide has a molecular weight of 319.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 14722185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).