N-(4-ethylphenyl)-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide

C19H25N5O — CID 171999414

IUPACN-(4-ethylphenyl)-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide
SMILESCCc1ccc(NC(=O)CN(C)C2CN(c3ncncc3C)C2)cc1
InChIInChI=1S/C19H25N5O/c1-4-15-5-7-16(8-6-15)22-18(25)12-23(3)17-10-24(11-17)19-14(2)9-20-13-21-19/h5-9,13,17H,4,10-12H2,1-3H3,(H,22,25)
InChIKeyLYZKXBALKZUGBK-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.11
Rot. Bonds6

About N-(4-ethylphenyl)-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide

N-(4-ethylphenyl)-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide (PubChem CID 171999414) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide
PubChem CID171999414
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-(4-ethylphenyl)-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide
SMILESCCc1ccc(NC(=O)CN(C)C2CN(c3ncncc3C)C2)cc1
InChIInChI=1S/C19H25N5O/c1-4-15-5-7-16(8-6-15)22-18(25)12-23(3)17-10-24(11-17)19-14(2)9-20-13-21-19/h5-9,13,17H,4,10-12H2,1-3H3,(H,22,25)
InChIKeyLYZKXBALKZUGBK-UHFFFAOYSA-N
XLogP2.11
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide (CID 171999414) is N-(4-ethylphenyl)-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide is CCc1ccc(NC(=O)CN(C)C2CN(c3ncncc3C)C2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide?
The InChIKey is LYZKXBALKZUGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-4-15-5-7-16(8-6-15)22-18(25)12-23(3)17-10-24(11-17)19-14(2)9-20-13-21-19/h5-9,13,17H,4,10-12H2,1-3H3,(H,22,25).
What are the key properties of N-(4-ethylphenyl)-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide?
N-(4-ethylphenyl)-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide is sourced from PubChem (CID 171999414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).