N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide

C17H15N5O — CID 14347160

IUPACN-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1
InChIInChI=1S/C17H15N5O/c1-12(23)20-14-5-2-6-15(10-14)21-17-19-9-7-16(22-17)13-4-3-8-18-11-13/h2-11H,1H3,(H,20,23)(H,19,21,22)
InChIKeyTYHZKBZDJYFTMH-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.24
Rot. Bonds4

About N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide

N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide (PubChem CID 14347160) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
PubChem CID14347160
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC NameN-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1
InChIInChI=1S/C17H15N5O/c1-12(23)20-14-5-2-6-15(10-14)21-17-19-9-7-16(22-17)13-4-3-8-18-11-13/h2-11H,1H3,(H,20,23)(H,19,21,22)
InChIKeyTYHZKBZDJYFTMH-UHFFFAOYSA-N
XLogP3.24
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide (CID 14347160) is N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1.
What is the InChIKey of N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The InChIKey is TYHZKBZDJYFTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-12(23)20-14-5-2-6-15(10-14)21-17-19-9-7-16(22-17)13-4-3-8-18-11-13/h2-11H,1H3,(H,20,23)(H,19,21,22).
What are the key properties of N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide?
N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide has a molecular weight of 305.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 14347160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).