N-[5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-3-pyridinyl]acetamide

C17H17ClN2O2 — CID 56961773

IUPACN-[5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O2/c1-11(21)20-15-8-16(13-4-6-14(18)7-5-13)17(19-9-15)22-10-12-2-3-12/h4-9,12H,2-3,10H2,1H3,(H,20,21)
InChIKeyRWHGNJMGXFWWJK-UHFFFAOYSA-N
MW316.79 g/mol
LogP4.15
Rot. Bonds5

About N-[5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-3-pyridinyl]acetamide

N-[5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-3-pyridinyl]acetamide (PubChem CID 56961773) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-3-pyridinyl]acetamide
PubChem CID56961773
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-[5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O2/c1-11(21)20-15-8-16(13-4-6-14(18)7-5-13)17(19-9-15)22-10-12-2-3-12/h4-9,12H,2-3,10H2,1H3,(H,20,21)
InChIKeyRWHGNJMGXFWWJK-UHFFFAOYSA-N
XLogP4.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2E)-N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methoxyiminopropanamide
CID 56961894
N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methylfuran-2-carboxamide
CID 56961282
N-(2-cyclopropyl-2-hydroxypropyl)-6-(cyclopropylmethoxy)-5-(4-fluorophenyl)pyridine-3-carboxamide
CID 21109682
pyrimidin-5-yl N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 121433854
N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 56961283
N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylpyridine-3-carboxamide
CID 56961607
5-[[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamoyl]pyridine-3-carboxylic acid
CID 67280524
1,2-oxazol-5-yl N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 121433829
N-[3-(4-chlorophenyl)-4-methoxyphenyl]acetamide
CID 10636150
N-[3-(cyclopropylmethoxy)-4-(hydroxymethyl)phenyl]acetamide
CID 141315401
5-chloro-6-(cyclopropylmethoxy)-N-methylpyridine-3-carboxamide
CID 75503604
4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid
CID 69050390

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-3-pyridinyl]acetamide?
The IUPAC name of N-[5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-3-pyridinyl]acetamide (CID 56961773) is N-[5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-3-pyridinyl]acetamide is CC(=O)Nc1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-3-pyridinyl]acetamide?
The InChIKey is RWHGNJMGXFWWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-11(21)20-15-8-16(13-4-6-14(18)7-5-13)17(19-9-15)22-10-12-2-3-12/h4-9,12H,2-3,10H2,1H3,(H,20,21).
What are the key properties of N-[5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-3-pyridinyl]acetamide?
N-[5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-3-pyridinyl]acetamide has a molecular weight of 316.79 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-3-pyridinyl]acetamide is sourced from PubChem (CID 56961773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).