2-chloro-N-[6-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide

C14H15ClN4O2 — CID 135909416

IUPAC2-chloro-N-[6-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide
SMILESCCc1c(C)nc(-c2ccc(NC(=O)CCl)cn2)[nH]c1=O
InChIInChI=1S/C14H15ClN4O2/c1-3-10-8(2)17-13(19-14(10)21)11-5-4-9(7-16-11)18-12(20)6-15/h4-5,7H,3,6H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyJSCOYNFBLDNTGM-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.88
Rot. Bonds4

About 2-chloro-N-[6-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide

2-chloro-N-[6-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide (PubChem CID 135909416) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-chloro-N-[6-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[6-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide
PubChem CID135909416
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name2-chloro-N-[6-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide
SMILESCCc1c(C)nc(-c2ccc(NC(=O)CCl)cn2)[nH]c1=O
InChIInChI=1S/C14H15ClN4O2/c1-3-10-8(2)17-13(19-14(10)21)11-5-4-9(7-16-11)18-12(20)6-15/h4-5,7H,3,6H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyJSCOYNFBLDNTGM-UHFFFAOYSA-N
XLogP1.88
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-chloro-N-[6-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide (CID 135909416) is 2-chloro-N-[6-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-chloro-N-[6-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-chloro-N-[6-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide is CCc1c(C)nc(-c2ccc(NC(=O)CCl)cn2)[nH]c1=O.
What is the InChIKey of 2-chloro-N-[6-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide?
The InChIKey is JSCOYNFBLDNTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-3-10-8(2)17-13(19-14(10)21)11-5-4-9(7-16-11)18-12(20)6-15/h4-5,7H,3,6H2,1-2H3,(H,18,20)(H,17,19,21).
What are the key properties of 2-chloro-N-[6-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide?
2-chloro-N-[6-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide has a molecular weight of 306.75 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 135909416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).