2-chloro-N-[6-(5-ethyl-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide

C17H19ClN4O2 — CID 25154309

IUPAC2-chloro-N-[6-(5-ethyl-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide
SMILESC=CCOc1nc(-c2ccc(NC(=O)CCl)cn2)nc(C)c1CC
InChIInChI=1S/C17H19ClN4O2/c1-4-8-24-17-13(5-2)11(3)20-16(22-17)14-7-6-12(10-19-14)21-15(23)9-18/h4,6-7,10H,1,5,8-9H2,2-3H3,(H,21,23)
InChIKeySDXKNGKMFQTFNM-UHFFFAOYSA-N
MW346.82 g/mol
LogP3.15
Rot. Bonds7

About 2-chloro-N-[6-(5-ethyl-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide

2-chloro-N-[6-(5-ethyl-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide (PubChem CID 25154309) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-chloro-N-[6-(5-ethyl-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[6-(5-ethyl-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide
PubChem CID25154309
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name2-chloro-N-[6-(5-ethyl-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide
SMILESC=CCOc1nc(-c2ccc(NC(=O)CCl)cn2)nc(C)c1CC
InChIInChI=1S/C17H19ClN4O2/c1-4-8-24-17-13(5-2)11(3)20-16(22-17)14-7-6-12(10-19-14)21-15(23)9-18/h4,6-7,10H,1,5,8-9H2,2-3H3,(H,21,23)
InChIKeySDXKNGKMFQTFNM-UHFFFAOYSA-N
XLogP3.15
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[6-[5-(propanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]propanamide
CID 160672212
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 43696835
2-chloro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]acetamide
CID 82022508
2-chloro-N-(2-methyl-4-prop-2-enoxyphenyl)acetamide
CID 92931806
N-(3,4-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821243
N-(3,5-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821441
2-(3-butan-2-yloxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54829963
N-(3-chloro-4-methylphenyl)-2-(2-prop-2-enoxyanilino)acetamide
CID 54824696
N-[6-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]butanamide
CID 70982624
N-(4-butan-2-yloxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826479
N-[6-(1-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-yl)-3-pyridinyl]butanamide
CID 121289156

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(5-ethyl-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-chloro-N-[6-(5-ethyl-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide (CID 25154309) is 2-chloro-N-[6-(5-ethyl-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-chloro-N-[6-(5-ethyl-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-chloro-N-[6-(5-ethyl-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide is C=CCOc1nc(-c2ccc(NC(=O)CCl)cn2)nc(C)c1CC.
What is the InChIKey of 2-chloro-N-[6-(5-ethyl-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide?
The InChIKey is SDXKNGKMFQTFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-4-8-24-17-13(5-2)11(3)20-16(22-17)14-7-6-12(10-19-14)21-15(23)9-18/h4,6-7,10H,1,5,8-9H2,2-3H3,(H,21,23).
What are the key properties of 2-chloro-N-[6-(5-ethyl-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide?
2-chloro-N-[6-(5-ethyl-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide has a molecular weight of 346.82 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(5-ethyl-4-methyl-6-prop-2-enoxypyrimidin-2-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 25154309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).