N-[5-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]-3-pyridinyl]acetamide

C23H18ClN5O — CID 166136704

IUPACN-[5-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cncc(Nc2ncc(Cl)c(-c3cccc(-c4ccccc4)c3)n2)c1
InChIInChI=1S/C23H18ClN5O/c1-15(30)27-19-11-20(13-25-12-19)28-23-26-14-21(24)22(29-23)18-9-5-8-17(10-18)16-6-3-2-4-7-16/h2-14H,1H3,(H,27,30)(H,26,28,29)
InChIKeyNXFGOAZTGIAROE-UHFFFAOYSA-N
MW415.88 g/mol
LogP5.56
Rot. Bonds5

About N-[5-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]-3-pyridinyl]acetamide

N-[5-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]-3-pyridinyl]acetamide (PubChem CID 166136704) has the molecular formula C23H18ClN5O and a molecular weight of 415.88 g/mol. Its IUPAC name is N-[5-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]-3-pyridinyl]acetamide
PubChem CID166136704
Molecular FormulaC23H18ClN5O
Molecular Weight415.88 g/mol
Exact Mass415.12
IUPAC NameN-[5-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cncc(Nc2ncc(Cl)c(-c3cccc(-c4ccccc4)c3)n2)c1
InChIInChI=1S/C23H18ClN5O/c1-15(30)27-19-11-20(13-25-12-19)28-23-26-14-21(24)22(29-23)18-9-5-8-17(10-18)16-6-3-2-4-7-16/h2-14H,1H3,(H,27,30)(H,26,28,29)
InChIKeyNXFGOAZTGIAROE-UHFFFAOYSA-N
XLogP5.56
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.88
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]-3-pyridinyl]acetamide?
The IUPAC name of N-[5-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]-3-pyridinyl]acetamide (CID 166136704) is N-[5-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]-3-pyridinyl]acetamide is CC(=O)Nc1cncc(Nc2ncc(Cl)c(-c3cccc(-c4ccccc4)c3)n2)c1.
What is the InChIKey of N-[5-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]-3-pyridinyl]acetamide?
The InChIKey is NXFGOAZTGIAROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O/c1-15(30)27-19-11-20(13-25-12-19)28-23-26-14-21(24)22(29-23)18-9-5-8-17(10-18)16-6-3-2-4-7-16/h2-14H,1H3,(H,27,30)(H,26,28,29).
What are the key properties of N-[5-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]-3-pyridinyl]acetamide?
N-[5-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]-3-pyridinyl]acetamide has a molecular weight of 415.88 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]-3-pyridinyl]acetamide is sourced from PubChem (CID 166136704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).