N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide

C23H25N5O2 — CID 176580494

IUPACN-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide
SMILESCCc1cccc(-c2cnc(C(C)=O)c(NC(=O)CNCc3ccnc(C)n3)c2)c1
InChIInChI=1S/C23H25N5O2/c1-4-17-6-5-7-18(10-17)19-11-21(23(15(2)29)26-12-19)28-22(30)14-24-13-20-8-9-25-16(3)27-20/h5-12,24H,4,13-14H2,1-3H3,(H,28,30)
InChIKeyRLXVHLIZADVOJY-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.34
Rot. Bonds8

About N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide

N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide (PubChem CID 176580494) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide
PubChem CID176580494
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide
SMILESCCc1cccc(-c2cnc(C(C)=O)c(NC(=O)CNCc3ccnc(C)n3)c2)c1
InChIInChI=1S/C23H25N5O2/c1-4-17-6-5-7-18(10-17)19-11-21(23(15(2)29)26-12-19)28-22(30)14-24-13-20-8-9-25-16(3)27-20/h5-12,24H,4,13-14H2,1-3H3,(H,28,30)
InChIKeyRLXVHLIZADVOJY-UHFFFAOYSA-N
XLogP3.34
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 176576687
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 176580213
2-(benzylamino)-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide
CID 176582208
N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]-2-[(1-methylimidazol-4-yl)methylamino]acetamide
CID 176577437
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-morpholin-4-ylacetamide;ethane
CID 176577668
N-[5-(3-ethylphenyl)-2-propanoyl-3-pyridinyl]-2-[(5-methyl-1,2-dihydropyridazin-3-yl)methylamino]acetamide;molecular hydrogen
CID 176579481
3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane
CID 176581887
N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]-2-[(1-methyl-2-oxabicyclo[3.1.1]hept-4-en-4-yl)methylamino]acetamide;molecular hydrogen
CID 176581326
N-[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]acetamide
CID 176577162
1-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]ethanone
CID 176581839
1-[3-chloro-5-(3-ethylphenyl)-2-pyridinyl]ethanone
CID 176578359
N-[5-(3-cyanophenyl)-2-propanoyl-3-pyridinyl]-2-(pyrimidin-4-ylmethylamino)acetamide;molecular hydrogen
CID 176581057

Frequently Asked Questions

What is the IUPAC name of N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide?
The IUPAC name of N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide (CID 176580494) is N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide.
What is the SMILES notation for N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide?
The canonical SMILES for N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide is CCc1cccc(-c2cnc(C(C)=O)c(NC(=O)CNCc3ccnc(C)n3)c2)c1.
What is the InChIKey of N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide?
The InChIKey is RLXVHLIZADVOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-4-17-6-5-7-18(10-17)19-11-21(23(15(2)29)26-12-19)28-22(30)14-24-13-20-8-9-25-16(3)27-20/h5-12,24H,4,13-14H2,1-3H3,(H,28,30).
What are the key properties of N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide?
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide has a molecular weight of 403.49 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide is sourced from PubChem (CID 176580494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).